3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole

C45H29N3 — CID 118133191

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6cccnc56)cc4)ccc32)cc1
InChIInChI=1S/C45H29N3/c1-2-12-34(13-3-1)47-41-17-6-4-14-37(41)39-28-32(21-25-43(39)47)33-22-26-44-40(29-33)38-15-5-7-18-42(38)48(44)35-23-19-30(20-24-35)36-16-8-10-31-11-9-27-46-45(31)36/h1-29H
InChIKeyYGKCBWOPABKZFI-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole (PubChem CID 118133191) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
PubChem CID118133191
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6cccnc56)cc4)ccc32)cc1
InChIInChI=1S/C45H29N3/c1-2-12-34(13-3-1)47-41-17-6-4-14-37(41)39-28-32(21-25-43(39)47)33-22-26-44-40(29-33)38-15-5-7-18-42(38)48(44)35-23-19-30(20-24-35)36-16-8-10-31-11-9-27-46-45(31)36/h1-29H
InChIKeyYGKCBWOPABKZFI-UHFFFAOYSA-N
XLogP11.76
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59845039
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
CID 88557966

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole (CID 118133191) is 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6cccnc56)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole?
The InChIKey is YGKCBWOPABKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-12-34(13-3-1)47-41-17-6-4-14-37(41)39-28-32(21-25-43(39)47)33-22-26-44-40(29-33)38-15-5-7-18-42(38)48(44)35-23-19-30(20-24-35)36-16-8-10-31-11-9-27-46-45(31)36/h1-29H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole has a molecular weight of 611.75 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole is sourced from PubChem (CID 118133191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).