5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

C419H269N3O2S — CID 158107804

IUPAC5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6c(-c7cccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)cc7ccc8ccccc8c7c6c5c4)c3)cc21.c1ccc(-c2ccc3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3c2)cc1.c1ccc(-c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-c2cccc(-c3cc4ccc5c6ccccc6ccc5c4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)ccc32)cc1.c1ccc2c(c1)ccc1c2ccc2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c21.c1ccc2c(c1)ccc1ccc3c(-c4ccc5oc6ccccc6c5c4)cc4ccccc4c3c12
InChIInChI=1S/C64H46.C46H29N.C43H30.2C40H25N.C40H24O.C40H24S.C38H24.C34H20O.C34H22/c1-63(2)57-21-9-7-19-50(57)52-30-28-45(37-59(52)63)42-15-11-14-41(33-42)44-25-23-40-27-32-54-55(36-48-26-24-39-13-5-6-18-49(39)61(48)62(54)56(40)35-44)47-17-12-16-43(34-47)46-29-31-53-51-20-8-10-22-58(51)64(3,4)60(53)38-46;1-2-11-36(12-3-1)47-43-17-9-8-15-39(43)42-28-34(26-27-44(42)47)30-18-20-32(21-19-30)41-29-35-25-24-33-23-22-31-10-4-5-13-37(31)45(33)46(35)40-16-7-6-14-38(40)41;1-43(2)39-16-8-7-14-37(39)42-32(15-9-17-40(42)43)28-18-20-29(21-19-28)38-26-30-23-24-34-31-11-4-3-10-27(31)22-25-36(34)41(30)35-13-6-5-12-33(35)38;1-2-9-32(10-3-1)41-37-13-7-6-12-34(37)36-25-31(22-23-38(36)41)30-21-16-27-15-18-29-20-19-28-17-14-26-8-4-5-11-33(26)39(28)40(29)35(27)24-30;1-2-9-31(10-3-1)41-38-13-7-6-12-34(38)37-25-30(20-23-39(37)41)29-17-15-27-14-16-28-19-21-33-32-11-5-4-8-26(32)18-22-35(33)40(28)36(27)24-29;1-2-8-30-26(7-1)17-22-36-32(30)20-19-29-23-37(31-9-3-4-11-35(31)40(29)36)27-15-13-25(14-16-27)28-18-21-34-33-10-5-6-12-38(33)41-39(34)24-28;1-2-10-33-25(7-1)13-16-27-18-19-28-17-14-26-15-20-29(23-35(26)40(28)39(27)33)31-8-3-4-9-32(31)30-21-22-38-36(24-30)34-11-5-6-12-37(34)41-38;1-2-8-25(9-3-1)28-16-14-26-15-17-29(23-31(26)22-28)37-24-30-19-20-34-32-11-5-4-10-27(32)18-21-36(34)38(30)35-13-7-6-12-33(35)37;1-3-9-25-21(7-1)13-14-22-15-17-28-29(19-23-8-2-4-10-26(23)34(28)33(22)25)24-16-18-32-30(20-24)27-11-5-6-12-31(27)35-32;1-2-9-23(10-3-1)25-12-8-13-26(21-25)33-22-27-18-19-30-28-14-5-4-11-24(28)17-20-32(30)34(27)31-16-7-6-15-29(31)33/h5-38H,1-4H3;1-29H;3-26H,1-2H3;2*1-25H;2*1-24H;1-24H;1-20H;1-22H
InChIKeyFQBBDOIUSFNECJ-UHFFFAOYSA-N
MW5409.85 g/mol
LogP118.20
Rot. Bonds22

About 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (PubChem CID 158107804) has the molecular formula C419H269N3O2S and a molecular weight of 5409.85 g/mol. Its IUPAC name is 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
PubChem CID158107804
Molecular FormulaC419H269N3O2S
Molecular Weight5409.85 g/mol
Exact Mass5405.08
IUPAC Name5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6c(-c7cccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)cc7ccc8ccccc8c7c6c5c4)c3)cc21.c1ccc(-c2ccc3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3c2)cc1.c1ccc(-c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-c2cccc(-c3cc4ccc5c6ccccc6ccc5c4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)ccc32)cc1.c1ccc2c(c1)ccc1c2ccc2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c21.c1ccc2c(c1)ccc1ccc3c(-c4ccc5oc6ccccc6c5c4)cc4ccccc4c3c12
InChIInChI=1S/C64H46.C46H29N.C43H30.2C40H25N.C40H24O.C40H24S.C38H24.C34H20O.C34H22/c1-63(2)57-21-9-7-19-50(57)52-30-28-45(37-59(52)63)42-15-11-14-41(33-42)44-25-23-40-27-32-54-55(36-48-26-24-39-13-5-6-18-49(39)61(48)62(54)56(40)35-44)47-17-12-16-43(34-47)46-29-31-53-51-20-8-10-22-58(51)64(3,4)60(53)38-46;1-2-11-36(12-3-1)47-43-17-9-8-15-39(43)42-28-34(26-27-44(42)47)30-18-20-32(21-19-30)41-29-35-25-24-33-23-22-31-10-4-5-13-37(31)45(33)46(35)40-16-7-6-14-38(40)41;1-43(2)39-16-8-7-14-37(39)42-32(15-9-17-40(42)43)28-18-20-29(21-19-28)38-26-30-23-24-34-31-11-4-3-10-27(31)22-25-36(34)41(30)35-13-6-5-12-33(35)38;1-2-9-32(10-3-1)41-37-13-7-6-12-34(37)36-25-31(22-23-38(36)41)30-21-16-27-15-18-29-20-19-28-17-14-26-8-4-5-11-33(26)39(28)40(29)35(27)24-30;1-2-9-31(10-3-1)41-38-13-7-6-12-34(38)37-25-30(20-23-39(37)41)29-17-15-27-14-16-28-19-21-33-32-11-5-4-8-26(32)18-22-35(33)40(28)36(27)24-29;1-2-8-30-26(7-1)17-22-36-32(30)20-19-29-23-37(31-9-3-4-11-35(31)40(29)36)27-15-13-25(14-16-27)28-18-21-34-33-10-5-6-12-38(33)41-39(34)24-28;1-2-10-33-25(7-1)13-16-27-18-19-28-17-14-26-15-20-29(23-35(26)40(28)39(27)33)31-8-3-4-9-32(31)30-21-22-38-36(24-30)34-11-5-6-12-37(34)41-38;1-2-8-25(9-3-1)28-16-14-26-15-17-29(23-31(26)22-28)37-24-30-19-20-34-32-11-5-4-10-27(32)18-21-36(34)38(30)35-13-7-6-12-33(35)37;1-3-9-25-21(7-1)13-14-22-15-17-28-29(19-23-8-2-4-10-26(23)34(28)33(22)25)24-16-18-32-30(20-24)27-11-5-6-12-31(27)35-32;1-2-9-23(10-3-1)25-12-8-13-26(21-25)33-22-27-18-19-30-28-14-5-4-11-24(28)17-20-32(30)34(27)31-16-7-6-15-29(31)33/h5-38H,1-4H3;1-29H;3-26H,1-2H3;2*1-25H;2*1-24H;1-24H;1-20H;1-22H
InChIKeyFQBBDOIUSFNECJ-UHFFFAOYSA-N
XLogP118.20
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms425
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005409.85
LogP ≤ 5118.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene with MolForge

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What is the IUPAC name of 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The IUPAC name of 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (CID 158107804) is 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The canonical SMILES for 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6c(-c7cccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)cc7ccc8ccccc8c7c6c5c4)c3)cc21.c1ccc(-c2ccc3ccc(-c4cc5ccc6c7ccccc7ccc6c5c5ccccc45)cc3c2)cc1.c1ccc(-c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-c2cccc(-c3cc4ccc5c6ccccc6ccc5c4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc6ccc7ccc8ccccc8c7c6c6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7c8ccccc8ccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)ccc32)cc1.c1ccc2c(c1)ccc1c2ccc2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c21.c1ccc2c(c1)ccc1ccc3c(-c4ccc5oc6ccccc6c5c4)cc4ccccc4c3c12.
What is the InChIKey of 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The InChIKey is FQBBDOIUSFNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46.C46H29N.C43H30.2C40H25N.C40H24O.C40H24S.C38H24.C34H20O.C34H22/c1-63(2)57-21-9-7-19-50(57)52-30-28-45(37-59(52)63)42-15-11-14-41(33-42)44-25-23-40-27-32-54-55(36-48-26-24-39-13-5-6-18-49(39)61(48)62(54)56(40)35-44)47-17-12-16-43(34-47)46-29-31-53-51-20-8-10-22-58(51)64(3,4)60(53)38-46;1-2-11-36(12-3-1)47-43-17-9-8-15-39(43)42-28-34(26-27-44(42)47)30-18-20-32(21-19-30)41-29-35-25-24-33-23-22-31-10-4-5-13-37(31)45(33)46(35)40-16-7-6-14-38(40)41;1-43(2)39-16-8-7-14-37(39)42-32(15-9-17-40(42)43)28-18-20-29(21-19-28)38-26-30-23-24-34-31-11-4-3-10-27(31)22-25-36(34)41(30)35-13-6-5-12-33(35)38;1-2-9-32(10-3-1)41-37-13-7-6-12-34(37)36-25-31(22-23-38(36)41)30-21-16-27-15-18-29-20-19-28-17-14-26-8-4-5-11-33(26)39(28)40(29)35(27)24-30;1-2-9-31(10-3-1)41-38-13-7-6-12-34(38)37-25-30(20-23-39(37)41)29-17-15-27-14-16-28-19-21-33-32-11-5-4-8-26(32)18-22-35(33)40(28)36(27)24-29;1-2-8-30-26(7-1)17-22-36-32(30)20-19-29-23-37(31-9-3-4-11-35(31)40(29)36)27-15-13-25(14-16-27)28-18-21-34-33-10-5-6-12-38(33)41-39(34)24-28;1-2-10-33-25(7-1)13-16-27-18-19-28-17-14-26-15-20-29(23-35(26)40(28)39(27)33)31-8-3-4-9-32(31)30-21-22-38-36(24-30)34-11-5-6-12-37(34)41-38;1-2-8-25(9-3-1)28-16-14-26-15-17-29(23-31(26)22-28)37-24-30-19-20-34-32-11-5-4-10-27(32)18-21-36(34)38(30)35-13-7-6-12-33(35)37;1-3-9-25-21(7-1)13-14-22-15-17-28-29(19-23-8-2-4-10-26(23)34(28)33(22)25)24-16-18-32-30(20-24)27-11-5-6-12-31(27)35-32;1-2-9-23(10-3-1)25-12-8-13-26(21-25)33-22-27-18-19-30-28-14-5-4-11-24(28)17-20-32(30)34(27)31-16-7-6-15-29(31)33/h5-38H,1-4H3;1-29H;3-26H,1-2H3;2*1-25H;2*1-24H;1-24H;1-20H;1-22H.
What are the key properties of 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene has a molecular weight of 5409.85 g/mol, XLogP of 118.20, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17,19,21-undecaene;9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;2-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)dibenzofuran;3-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-9-phenylcarbazole;9-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 158107804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).