1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole

C60H40N2 — CID 170209650

IUPAC1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c43)cc2)cc1
InChIInChI=1S/C60H40N2/c1-6-16-41(17-7-1)46-26-31-51(32-27-46)61-56-33-28-49(44-22-12-4-13-23-44)38-54(56)55-39-50(45-24-14-5-15-25-45)40-59(60(55)61)62-57-34-29-47(42-18-8-2-9-19-42)36-52(57)53-37-48(30-35-58(53)62)43-20-10-3-11-21-43/h1-40H
InChIKeyYWTHDSJYPUPHDJ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole

1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole (PubChem CID 170209650) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole
PubChem CID170209650
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c43)cc2)cc1
InChIInChI=1S/C60H40N2/c1-6-16-41(17-7-1)46-26-31-51(32-27-46)61-56-33-28-49(44-22-12-4-13-23-44)38-54(56)55-39-50(45-24-14-5-15-25-45)40-59(60(55)61)62-57-34-29-47(42-18-8-2-9-19-42)36-52(57)53-37-48(30-35-58(53)62)43-20-10-3-11-21-43/h1-40H
InChIKeyYWTHDSJYPUPHDJ-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)carbazole;1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazole
CID 157284069
1,3-di(carbazol-9-yl)-9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]carbazole;1,3-di(carbazol-9-yl)-9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-6-phenylcarbazole
CID 158684229
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
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
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole
CID 158933080
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole?
The IUPAC name of 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole (CID 170209650) is 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c43)cc2)cc1.
What is the InChIKey of 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole?
The InChIKey is YWTHDSJYPUPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-6-16-41(17-7-1)46-26-31-51(32-27-46)61-56-33-28-49(44-22-12-4-13-23-44)38-54(56)55-39-50(45-24-14-5-15-25-45)40-59(60(55)61)62-57-34-29-47(42-18-8-2-9-19-42)36-52(57)53-37-48(30-35-58(53)62)43-20-10-3-11-21-43/h1-40H.
What are the key properties of 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole?
1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170209650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).