3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline

C43H28N2 — CID 138643729

IUPAC3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C43H28N2/c1-2-12-29(13-3-1)38-28-40(44-39-25-24-30-14-4-5-19-35(30)43(38)39)33-17-10-15-31(26-33)32-16-11-18-34(27-32)45-41-22-8-6-20-36(41)37-21-7-9-23-42(37)45/h1-28H
InChIKeyWLLMQZVBGZNIKC-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline

3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline (PubChem CID 138643729) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
PubChem CID138643729
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C43H28N2/c1-2-12-29(13-3-1)38-28-40(44-39-25-24-30-14-4-5-19-35(30)43(38)39)33-17-10-15-31(26-33)32-16-11-18-34(27-32)45-41-22-8-6-20-36(41)37-21-7-9-23-42(37)45/h1-28H
InChIKeyWLLMQZVBGZNIKC-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643718
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
CID 138643776
3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 138643727
3-[4-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;2-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 159402578
3-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 149445182
9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568862
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 161107449
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
12-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 122551002
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline (CID 138643729) is 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline?
The InChIKey is WLLMQZVBGZNIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-2-12-29(13-3-1)38-28-40(44-39-25-24-30-14-4-5-19-35(30)43(38)39)33-17-10-15-31(26-33)32-16-11-18-34(27-32)45-41-22-8-6-20-36(41)37-21-7-9-23-42(37)45/h1-28H.
What are the key properties of 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline?
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline has a molecular weight of 572.71 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 138643729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).