6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole

C276H163N7O12 — CID 158073977

IUPAC6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1cc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4oc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6oc54)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4oc32)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6c(c5)oc5c6ccc6c7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7oc65)cc4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6oc54)ccc32)cc1
InChIInChI=1S/C66H40N2O2.2C54H32N2O2.C54H30O4.C48H29NO2/c1-5-13-41(14-6-1)43-23-31-59-55(35-43)57-37-45(25-33-61(57)67(59)49-17-9-3-10-18-49)47-21-27-51-53-29-30-54-52-28-22-48(40-64(52)70-66(54)65(53)69-63(51)39-47)46-26-34-62-58(38-46)56-36-44(42-15-7-2-8-16-42)24-32-60(56)68(62)50-19-11-4-12-20-50;1-5-19-47-39(15-1)40-16-2-6-20-48(40)55(47)37-13-9-11-33(29-37)35-23-25-43-45-27-28-46-44-26-24-36(32-52(44)58-54(46)53(45)57-51(43)31-35)34-12-10-14-38(30-34)56-49-21-7-3-17-41(49)42-18-4-8-22-50(42)56;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)45-29-33(21-27-49(45)55)35-19-23-41-43-25-26-44-42-24-20-36(32-52(42)58-54(44)53(43)57-51(41)31-35)34-22-28-50-46(30-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-31(8-4-1)33-13-21-47-43(25-33)45-27-35(15-23-49(45)55-47)37-11-17-39-41-19-20-42-40-18-12-38(30-52(40)58-54(42)53(41)57-51(39)29-37)36-16-24-50-46(28-36)44-26-34(14-22-48(44)56-50)32-9-5-2-6-10-32;1-4-10-30(11-5-1)32-18-24-43-41(26-32)42-27-33(19-25-44(42)49(43)36-14-8-3-9-15-36)35-17-21-38-40-23-22-39-37-20-16-34(31-12-6-2-7-13-31)28-45(37)50-47(39)48(40)51-46(38)29-35/h1-40H;2*1-32H;1-30H;1-29H
InChIKeyFMDNTKBNOAINCS-UHFFFAOYSA-N
MW3769.38 g/mol
LogP77.91
Rot. Bonds22

About 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole

6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole (PubChem CID 158073977) has the molecular formula C276H163N7O12 and a molecular weight of 3769.38 g/mol. Its IUPAC name is 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole.

Molecular Properties

Compound Name6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
PubChem CID158073977
Molecular FormulaC276H163N7O12
Molecular Weight3769.38 g/mol
Exact Mass3766.24
IUPAC Name6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1cc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4oc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6oc54)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4oc32)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6c(c5)oc5c6ccc6c7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7oc65)cc4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6oc54)ccc32)cc1
InChIInChI=1S/C66H40N2O2.2C54H32N2O2.C54H30O4.C48H29NO2/c1-5-13-41(14-6-1)43-23-31-59-55(35-43)57-37-45(25-33-61(57)67(59)49-17-9-3-10-18-49)47-21-27-51-53-29-30-54-52-28-22-48(40-64(52)70-66(54)65(53)69-63(51)39-47)46-26-34-62-58(38-46)56-36-44(42-15-7-2-8-16-42)24-32-60(56)68(62)50-19-11-4-12-20-50;1-5-19-47-39(15-1)40-16-2-6-20-48(40)55(47)37-13-9-11-33(29-37)35-23-25-43-45-27-28-46-44-26-24-36(32-52(44)58-54(46)53(45)57-51(43)31-35)34-12-10-14-38(30-34)56-49-21-7-3-17-41(49)42-18-4-8-22-50(42)56;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)45-29-33(21-27-49(45)55)35-19-23-41-43-25-26-44-42-24-20-36(32-52(42)58-54(44)53(43)57-51(41)31-35)34-22-28-50-46(30-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-31(8-4-1)33-13-21-47-43(25-33)45-27-35(15-23-49(45)55-47)37-11-17-39-41-19-20-42-40-18-12-38(30-52(40)58-54(42)53(41)57-51(39)29-37)36-16-24-50-46(28-36)44-26-34(14-22-48(44)56-50)32-9-5-2-6-10-32;1-4-10-30(11-5-1)32-18-24-43-41(26-32)42-27-33(19-25-44(42)49(43)36-14-8-3-9-15-36)35-17-21-38-40-23-22-39-37-20-16-34(31-12-6-2-7-13-31)28-45(37)50-47(39)48(40)51-46(38)29-35/h1-40H;2*1-32H;1-30H;1-29H
InChIKeyFMDNTKBNOAINCS-UHFFFAOYSA-N
XLogP77.91
TPSA192.19 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms295
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003769.38
LogP ≤ 577.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole?
The IUPAC name of 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole (CID 158073977) is 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole.
What is the SMILES notation for 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole?
The canonical SMILES for 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole is c1cc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4oc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)cc6oc54)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4oc32)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6c(c5)oc5c6ccc6c7ccc(-c8ccc9oc%10ccc(-c%11ccccc%11)cc%10c9c8)cc7oc65)cc4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4c5ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6oc54)ccc32)cc1.
What is the InChIKey of 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole?
The InChIKey is FMDNTKBNOAINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2.2C54H32N2O2.C54H30O4.C48H29NO2/c1-5-13-41(14-6-1)43-23-31-59-55(35-43)57-37-45(25-33-61(57)67(59)49-17-9-3-10-18-49)47-21-27-51-53-29-30-54-52-28-22-48(40-64(52)70-66(54)65(53)69-63(51)39-47)46-26-34-62-58(38-46)56-36-44(42-15-7-2-8-16-42)24-32-60(56)68(62)50-19-11-4-12-20-50;1-5-19-47-39(15-1)40-16-2-6-20-48(40)55(47)37-13-9-11-33(29-37)35-23-25-43-45-27-28-46-44-26-24-36(32-52(44)58-54(46)53(45)57-51(43)31-35)34-12-10-14-38(30-34)56-49-21-7-3-17-41(49)42-18-4-8-22-50(42)56;1-3-11-37(12-4-1)55-47-17-9-7-15-39(47)45-29-33(21-27-49(45)55)35-19-23-41-43-25-26-44-42-24-20-36(32-52(42)58-54(44)53(43)57-51(41)31-35)34-22-28-50-46(30-34)40-16-8-10-18-48(40)56(50)38-13-5-2-6-14-38;1-3-7-31(8-4-1)33-13-21-47-43(25-33)45-27-35(15-23-49(45)55-47)37-11-17-39-41-19-20-42-40-18-12-38(30-52(40)58-54(42)53(41)57-51(39)29-37)36-16-24-50-46(28-36)44-26-34(14-22-48(44)56-50)32-9-5-2-6-10-32;1-4-10-30(11-5-1)32-18-24-43-41(26-32)42-27-33(19-25-44(42)49(43)36-14-8-3-9-15-36)35-17-21-38-40-23-22-39-37-20-16-34(31-12-6-2-7-13-31)28-45(37)50-47(39)48(40)51-46(38)29-35/h1-40H;2*1-32H;1-30H;1-29H.
What are the key properties of 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole?
6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole has a molecular weight of 3769.38 g/mol, XLogP of 77.91, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole is sourced from PubChem (CID 158073977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).