3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole

C65H44N4 — CID 160711176

IUPAC3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccnc5)cc4)ccc32)cc1
InChIInChI=1S/C41H27N3.C24H17N/c1-2-10-32(11-3-1)43-38-14-6-4-12-34(38)36-25-29(18-22-40(36)43)30-19-23-41-37(26-30)35-13-5-7-15-39(35)44(41)33-20-16-28(17-21-33)31-9-8-24-42-27-31;1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-27H;1-17H
InChIKeyRRWMIQLZOGRRIX-UHFFFAOYSA-N
MW881.10 g/mol
LogP17.06
Rot. Bonds6

About 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole

3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole (PubChem CID 160711176) has the molecular formula C65H44N4 and a molecular weight of 881.10 g/mol. Its IUPAC name is 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole.

Molecular Properties

Compound Name3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
PubChem CID160711176
Molecular FormulaC65H44N4
Molecular Weight881.10 g/mol
Exact Mass880.36
IUPAC Name3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccnc5)cc4)ccc32)cc1
InChIInChI=1S/C41H27N3.C24H17N/c1-2-10-32(11-3-1)43-38-14-6-4-12-34(38)36-25-29(18-22-40(36)43)30-19-23-41-37(26-30)35-13-5-7-15-39(35)44(41)33-20-16-28(17-21-33)31-9-8-24-42-27-31;1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-27H;1-17H
InChIKeyRRWMIQLZOGRRIX-UHFFFAOYSA-N
XLogP17.06
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.10
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
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
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
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
15-phenyl-4,9-bis(3-pyridin-3-ylcarbazol-9-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137512
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole?
The IUPAC name of 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole (CID 160711176) is 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole.
What is the SMILES notation for 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole?
The canonical SMILES for 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccnc5)cc4)ccc32)cc1.
What is the InChIKey of 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole?
The InChIKey is RRWMIQLZOGRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C24H17N/c1-2-10-32(11-3-1)43-38-14-6-4-12-34(38)36-25-29(18-22-40(36)43)30-19-23-41-37(26-30)35-13-5-7-15-39(35)44(41)33-20-16-28(17-21-33)31-9-8-24-42-27-31;1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-27H;1-17H.
What are the key properties of 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole?
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole has a molecular weight of 881.10 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole is sourced from PubChem (CID 160711176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).