3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline

C43H28N2 — CID 138643715

IUPAC3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C43H28N2/c1-3-13-30(14-4-1)40-28-37(43-35-19-8-7-12-29(35)22-24-39(43)44-40)33-16-11-15-31(26-33)32-23-25-42-38(27-32)36-20-9-10-21-41(36)45(42)34-17-5-2-6-18-34/h1-28H
InChIKeyHJDKIAPKQDMLIR-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline

3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline (PubChem CID 138643715) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline.

Molecular Properties

Compound Name3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
PubChem CID138643715
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C43H28N2/c1-3-13-30(14-4-1)40-28-37(43-35-19-8-7-12-29(35)22-24-39(43)44-40)33-16-11-15-31(26-33)32-23-25-42-38(27-32)36-20-9-10-21-41(36)45(42)34-17-5-2-6-18-34/h1-28H
InChIKeyHJDKIAPKQDMLIR-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-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
CID 138643776
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
CID 138643729
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
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
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline
CID 158745072
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline?
The IUPAC name of 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline (CID 138643715) is 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline.
What is the SMILES notation for 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline?
The canonical SMILES for 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline?
The InChIKey is HJDKIAPKQDMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-3-13-30(14-4-1)40-28-37(43-35-19-8-7-12-29(35)22-24-39(43)44-40)33-16-11-15-31(26-33)32-23-25-42-38(27-32)36-20-9-10-21-41(36)45(42)34-17-5-2-6-18-34/h1-28H.
What are the key properties of 3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline?
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[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-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline is sourced from PubChem (CID 138643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).