3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole

C105H75N3 — CID 126608481

IUPAC3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc2-3)C(C)(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-1
InChIInChI=1S/C105H75N3/c1-103(2)88-46-37-70(73-43-52-94-82(58-73)79-55-67(64-25-13-7-14-26-64)40-49-91(79)106(94)76-31-19-10-20-32-76)61-85(88)97-100(103)98-86-62-71(74-44-53-95-83(59-74)80-56-68(65-27-15-8-16-28-65)41-50-92(80)107(95)77-33-21-11-22-34-77)38-47-89(86)104(3,4)102(98)99-87-63-72(39-48-90(87)105(5,6)101(97)99)75-45-54-96-84(60-75)81-57-69(66-29-17-9-18-30-66)42-51-93(81)108(96)78-35-23-12-24-36-78/h7-63H,1-6H3
InChIKeyVGMZWKZBVNHTMB-UHFFFAOYSA-N
MW1378.78 g/mol
LogP27.90
Rot. Bonds9

About 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole

3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole (PubChem CID 126608481) has the molecular formula C105H75N3 and a molecular weight of 1378.78 g/mol. Its IUPAC name is 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
PubChem CID126608481
Molecular FormulaC105H75N3
Molecular Weight1378.78 g/mol
Exact Mass1377.60
IUPAC Name3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc2-3)C(C)(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-1
InChIInChI=1S/C105H75N3/c1-103(2)88-46-37-70(73-43-52-94-82(58-73)79-55-67(64-25-13-7-14-26-64)40-49-91(79)106(94)76-31-19-10-20-32-76)61-85(88)97-100(103)98-86-62-71(74-44-53-95-83(59-74)80-56-68(65-27-15-8-16-28-65)41-50-92(80)107(95)77-33-21-11-22-34-77)38-47-89(86)104(3,4)102(98)99-87-63-72(39-48-90(87)105(5,6)101(97)99)75-45-54-96-84(60-75)81-57-69(66-29-17-9-18-30-66)42-51-93(81)108(96)78-35-23-12-24-36-78/h7-63H,1-6H3
InChIKeyVGMZWKZBVNHTMB-UHFFFAOYSA-N
XLogP27.90
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001378.78
LogP ≤ 527.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole 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

9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
CID 138474935
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486

Frequently Asked Questions

What is the IUPAC name of 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole (CID 126608481) is 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc2-3)C(C)(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-1.
What is the InChIKey of 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole?
The InChIKey is VGMZWKZBVNHTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H75N3/c1-103(2)88-46-37-70(73-43-52-94-82(58-73)79-55-67(64-25-13-7-14-26-64)40-49-91(79)106(94)76-31-19-10-20-32-76)61-85(88)97-100(103)98-86-62-71(74-44-53-95-83(59-74)80-56-68(65-27-15-8-16-28-65)41-50-92(80)107(95)77-33-21-11-22-34-77)38-47-89(86)104(3,4)102(98)99-87-63-72(39-48-90(87)105(5,6)101(97)99)75-45-54-96-84(60-75)81-57-69(66-29-17-9-18-30-66)42-51-93(81)108(96)78-35-23-12-24-36-78/h7-63H,1-6H3.
What are the key properties of 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole?
3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole has a molecular weight of 1378.78 g/mol, XLogP of 27.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole is sourced from PubChem (CID 126608481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).