6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole

C54H36N2 — CID 137400811

IUPAC6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-4-12-37(13-5-1)39-20-22-41(23-21-39)44-26-31-48-50-35-43(28-33-53(50)56(54(48)36-44)46-29-24-40(25-30-46)38-14-6-2-7-15-38)42-27-32-52-49(34-42)47-18-10-11-19-51(47)55(52)45-16-8-3-9-17-45/h1-36H
InChIKeyLDHNKQCEKWOMCB-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole

6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole (PubChem CID 137400811) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
PubChem CID137400811
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-4-12-37(13-5-1)39-20-22-41(23-21-39)44-26-31-48-50-35-43(28-33-53(50)56(54(48)36-44)46-29-24-40(25-30-46)38-14-6-2-7-15-38)42-27-32-52-49(34-42)47-18-10-11-19-51(47)55(52)45-16-8-3-9-17-45/h1-36H
InChIKeyLDHNKQCEKWOMCB-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561

Frequently Asked Questions

What is the IUPAC name of 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole?
The IUPAC name of 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole (CID 137400811) is 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole.
What is the SMILES notation for 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole?
The canonical SMILES for 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.
What is the InChIKey of 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole?
The InChIKey is LDHNKQCEKWOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-12-37(13-5-1)39-20-22-41(23-21-39)44-26-31-48-50-35-43(28-33-53(50)56(54(48)36-44)46-29-24-40(25-30-46)38-14-6-2-7-15-38)42-27-32-52-49(34-42)47-18-10-11-19-51(47)55(52)45-16-8-3-9-17-45/h1-36H.
What are the key properties of 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole?
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole is sourced from PubChem (CID 137400811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).