3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline

C61H39N3 — CID 138643727

IUPAC3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C61H39N3/c1-2-14-43(15-3-1)54-39-56(62-55-35-34-44-16-4-5-17-49(44)61(54)55)45-32-30-41(31-33-45)40-26-28-42(29-27-40)46-36-47(63-57-22-10-6-18-50(57)51-19-7-11-23-58(51)63)38-48(37-46)64-59-24-12-8-20-52(59)53-21-9-13-25-60(53)64/h1-39H
InChIKeyQCQNAFYCHLAYDL-UHFFFAOYSA-N
MW814.00 g/mol
LogP16.25
Rot. Bonds6

About 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline

3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline (PubChem CID 138643727) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
PubChem CID138643727
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C61H39N3/c1-2-14-43(15-3-1)54-39-56(62-55-35-34-44-16-4-5-17-49(44)61(54)55)45-32-30-41(31-33-45)40-26-28-42(29-27-40)46-36-47(63-57-22-10-6-18-50(57)51-19-7-11-23-58(51)63)38-48(37-46)64-59-24-12-8-20-52(59)53-21-9-13-25-60(53)64/h1-39H
InChIKeyQCQNAFYCHLAYDL-UHFFFAOYSA-N
XLogP16.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
CID 138643729
1-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 166796406
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568862
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
3-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 149445182

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The IUPAC name of 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline (CID 138643727) is 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The canonical SMILES for 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline?
The InChIKey is QCQNAFYCHLAYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c1-2-14-43(15-3-1)54-39-56(62-55-35-34-44-16-4-5-17-49(44)61(54)55)45-32-30-41(31-33-45)40-26-28-42(29-27-40)46-36-47(63-57-22-10-6-18-50(57)51-19-7-11-23-58(51)63)38-48(37-46)64-59-24-12-8-20-52(59)53-21-9-13-25-60(53)64/h1-39H.
What are the key properties of 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline?
3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline has a molecular weight of 814.00 g/mol, XLogP of 16.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 138643727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).