6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene

C413H270N2 — CID 161201594

IUPAC6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)cc21.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc7ccccc7cc6c5c5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5cc6c7ccccc7c7cc8ccccc8cc7c6c6ccccc56)cc4)cc32)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1
InChIInChI=1S/C54H40.C50H31N.C46H30.C44H27N.C44H28.C41H28.C36H22.2C34H22.C30H20/c1-53(2)49-19-11-9-17-43(49)45-25-22-34(30-51(45)53)36-27-37(35-23-26-46-44-18-10-12-20-50(44)54(3,4)52(46)31-35)29-38(28-36)47-32-48-39-14-6-5-13-33(39)21-24-42(48)40-15-7-8-16-41(40)47;1-2-14-37(15-3-1)51-48-21-11-10-19-41(48)42-27-26-36(30-49(42)51)32-22-24-33(25-23-32)44-31-47-39-17-7-6-16-38(39)45-28-34-12-4-5-13-35(34)29-46(45)50(47)43-20-9-8-18-40(43)44;1-3-12-31(13-4-1)34-17-11-18-35(26-34)37-28-38-27-36(23-24-40(38)44(29-37)32-14-5-2-6-15-32)45-30-46-39-19-8-7-16-33(39)22-25-43(46)41-20-9-10-21-42(41)45;1-2-14-31(15-3-1)45-42-21-11-10-19-35(42)36-23-22-30(26-43(36)45)38-27-41-33-17-7-6-16-32(33)39-24-28-12-4-5-13-29(28)25-40(39)44(41)37-20-9-8-18-34(37)38;1-3-12-32-23-34(19-17-29(32)9-1)36-25-37(35-20-18-30-10-2-4-13-33(30)24-35)27-38(26-36)43-28-44-39-14-6-5-11-31(39)21-22-42(44)40-15-7-8-16-41(40)43;1-41(2)38-18-10-9-16-31(38)32-20-19-27(23-39(32)41)34-24-37-29-14-6-5-13-28(29)35-21-25-11-3-4-12-26(25)22-36(35)40(37)33-17-8-7-15-30(33)34;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-11-23(12-3-1)24-13-10-14-25(21-24)32-22-33-28-17-5-4-15-26(28)27-16-6-8-19-30(27)34(33)31-20-9-7-18-29(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-9-21(10-3-1)23-12-8-13-24(19-23)29-20-30-25-14-5-4-11-22(25)17-18-28(30)26-15-6-7-16-27(26)29/h5-32H,1-4H3;1-31H;1-30H;1-27H;1-28H;3-24H,1-2H3;1-22H;2*1-22H;1-20H
InChIKeyUVAYLXGXYWELCC-UHFFFAOYSA-N
MW5260.72 g/mol
LogP115.73
Rot. Bonds23

About 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene

6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene (PubChem CID 161201594) has the molecular formula C413H270N2 and a molecular weight of 5260.72 g/mol. Its IUPAC name is 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene.

Molecular Properties

Compound Name6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
PubChem CID161201594
Molecular FormulaC413H270N2
Molecular Weight5260.72 g/mol
Exact Mass5256.12
IUPAC Name6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)cc21.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc7ccccc7cc6c5c5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5cc6c7ccccc7c7cc8ccccc8cc7c6c6ccccc56)cc4)cc32)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1
InChIInChI=1S/C54H40.C50H31N.C46H30.C44H27N.C44H28.C41H28.C36H22.2C34H22.C30H20/c1-53(2)49-19-11-9-17-43(49)45-25-22-34(30-51(45)53)36-27-37(35-23-26-46-44-18-10-12-20-50(44)54(3,4)52(46)31-35)29-38(28-36)47-32-48-39-14-6-5-13-33(39)21-24-42(48)40-15-7-8-16-41(40)47;1-2-14-37(15-3-1)51-48-21-11-10-19-41(48)42-27-26-36(30-49(42)51)32-22-24-33(25-23-32)44-31-47-39-17-7-6-16-38(39)45-28-34-12-4-5-13-35(34)29-46(45)50(47)43-20-9-8-18-40(43)44;1-3-12-31(13-4-1)34-17-11-18-35(26-34)37-28-38-27-36(23-24-40(38)44(29-37)32-14-5-2-6-15-32)45-30-46-39-19-8-7-16-33(39)22-25-43(46)41-20-9-10-21-42(41)45;1-2-14-31(15-3-1)45-42-21-11-10-19-35(42)36-23-22-30(26-43(36)45)38-27-41-33-17-7-6-16-32(33)39-24-28-12-4-5-13-29(28)25-40(39)44(41)37-20-9-8-18-34(37)38;1-3-12-32-23-34(19-17-29(32)9-1)36-25-37(35-20-18-30-10-2-4-13-33(30)24-35)27-38(26-36)43-28-44-39-14-6-5-11-31(39)21-22-42(44)40-15-7-8-16-41(40)43;1-41(2)38-18-10-9-16-31(38)32-20-19-27(23-39(32)41)34-24-37-29-14-6-5-13-28(29)35-21-25-11-3-4-12-26(25)22-36(35)40(37)33-17-8-7-15-30(33)34;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-11-23(12-3-1)24-13-10-14-25(21-24)32-22-33-28-17-5-4-15-26(28)27-16-6-8-19-30(27)34(33)31-20-9-7-18-29(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-9-21(10-3-1)23-12-8-13-24(19-23)29-20-30-25-14-5-4-11-22(25)17-18-28(30)26-15-6-7-16-27(26)29/h5-32H,1-4H3;1-31H;1-30H;1-27H;1-28H;3-24H,1-2H3;1-22H;2*1-22H;1-20H
InChIKeyUVAYLXGXYWELCC-UHFFFAOYSA-N
XLogP115.73
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms415
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005260.72
LogP ≤ 5115.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?
The IUPAC name of 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene (CID 161201594) is 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene.
What is the SMILES notation for 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?
The canonical SMILES for 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)cc21.c1ccc(-c2ccc3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc7ccccc7cc6c5c5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5cc6c7ccccc7c7cc8ccccc8cc7c6c6ccccc56)cc4)cc32)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2c1.c1ccc2cc(-c3cc4c5ccccc5c5cc6ccccc6cc5c4c4ccccc34)ccc2c1.
What is the InChIKey of 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?
The InChIKey is UVAYLXGXYWELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40.C50H31N.C46H30.C44H27N.C44H28.C41H28.C36H22.2C34H22.C30H20/c1-53(2)49-19-11-9-17-43(49)45-25-22-34(30-51(45)53)36-27-37(35-23-26-46-44-18-10-12-20-50(44)54(3,4)52(46)31-35)29-38(28-36)47-32-48-39-14-6-5-13-33(39)21-24-42(48)40-15-7-8-16-41(40)47;1-2-14-37(15-3-1)51-48-21-11-10-19-41(48)42-27-26-36(30-49(42)51)32-22-24-33(25-23-32)44-31-47-39-17-7-6-16-38(39)45-28-34-12-4-5-13-35(34)29-46(45)50(47)43-20-9-8-18-40(43)44;1-3-12-31(13-4-1)34-17-11-18-35(26-34)37-28-38-27-36(23-24-40(38)44(29-37)32-14-5-2-6-15-32)45-30-46-39-19-8-7-16-33(39)22-25-43(46)41-20-9-10-21-42(41)45;1-2-14-31(15-3-1)45-42-21-11-10-19-35(42)36-23-22-30(26-43(36)45)38-27-41-33-17-7-6-16-32(33)39-24-28-12-4-5-13-29(28)25-40(39)44(41)37-20-9-8-18-34(37)38;1-3-12-32-23-34(19-17-29(32)9-1)36-25-37(35-20-18-30-10-2-4-13-33(30)24-35)27-38(26-36)43-28-44-39-14-6-5-11-31(39)21-22-42(44)40-15-7-8-16-41(40)43;1-41(2)38-18-10-9-16-31(38)32-20-19-27(23-39(32)41)34-24-37-29-14-6-5-13-28(29)35-21-25-11-3-4-12-26(25)22-36(35)40(37)33-17-8-7-15-30(33)34;1-2-10-24-19-27(18-17-23(24)9-1)32-22-35-29-14-6-5-13-28(29)33-20-25-11-3-4-12-26(25)21-34(33)36(35)31-16-8-7-15-30(31)32;1-2-11-23(12-3-1)24-13-10-14-25(21-24)32-22-33-28-17-5-4-15-26(28)27-16-6-8-19-30(27)34(33)31-20-9-7-18-29(31)32;1-2-8-23(9-3-1)26-16-14-24-15-17-27(21-28(24)20-26)33-22-34-29-11-5-4-10-25(29)18-19-32(34)30-12-6-7-13-31(30)33;1-2-9-21(10-3-1)23-12-8-13-24(19-23)29-20-30-25-14-5-4-11-22(25)17-18-28(30)26-15-6-7-16-27(26)29/h5-32H,1-4H3;1-31H;1-30H;1-27H;1-28H;3-24H,1-2H3;1-22H;2*1-22H;1-20H.
What are the key properties of 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?
6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene has a molecular weight of 5260.72 g/mol, XLogP of 115.73, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]chrysene;9-(9,9-dimethylfluoren-2-yl)hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(3,5-dinaphthalen-2-ylphenyl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;2-[4-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)phenyl]-9-phenylcarbazole;9-naphthalen-2-ylhexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene;6-(7-phenylnaphthalen-2-yl)chrysene;6-(3-phenylphenyl)chrysene;21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene is sourced from PubChem (CID 161201594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).