3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline

C37H24N2 — CID 138643776

IUPAC3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C37H24N2/c1-2-10-25(11-3-1)32-24-34(38-33-23-20-26-12-4-5-13-29(26)37(32)33)27-18-21-28(22-19-27)39-35-16-8-6-14-30(35)31-15-7-9-17-36(31)39/h1-24H
InChIKeyMBBKOLYBLFEAHJ-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.82
Rot. Bonds3

About 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline

3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline (PubChem CID 138643776) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
PubChem CID138643776
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C37H24N2/c1-2-10-25(11-3-1)32-24-34(38-33-23-20-26-12-4-5-13-29(26)37(32)33)27-18-21-28(22-19-27)39-35-16-8-6-14-30(35)31-15-7-9-17-36(31)39/h1-24H
InChIKeyMBBKOLYBLFEAHJ-UHFFFAOYSA-N
XLogP9.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.82
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

3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 138643727
9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568862
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
CID 138643729
1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643718
9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
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-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline;1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;1-[4-(4-diphenylphosphorylphenyl)phenyl]-3-phenylbenzo[f]quinoline;1-[4-(4-phenanthren-9-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 159403037
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
1-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;2-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;5-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158908007

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline (CID 138643776) is 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline?
The InChIKey is MBBKOLYBLFEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-10-25(11-3-1)32-24-34(38-33-23-20-26-12-4-5-13-29(26)37(32)33)27-18-21-28(22-19-27)39-35-16-8-6-14-30(35)31-15-7-9-17-36(31)39/h1-24H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline?
3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline has a molecular weight of 496.61 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 138643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).