4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H36N2 — CID 146508951

IUPAC4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-13-37(14-5-1)39-23-30-44(31-24-39)53(45-32-25-40(26-33-45)38-15-6-2-7-16-38)46-34-27-41(28-35-46)47-21-12-19-43-29-36-50-51(42-17-8-3-9-18-42)48-20-10-11-22-49(48)54(50)52(43)47/h1-36H
InChIKeyBHENXRIIPPYWBB-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.38
Rot. Bonds7

About 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146508951) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146508951
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-13-37(14-5-1)39-23-30-44(31-24-39)53(45-32-25-40(26-33-45)38-15-6-2-7-16-38)46-34-27-41(28-35-46)47-21-12-19-43-29-36-50-51(42-17-8-3-9-18-42)48-20-10-11-22-49(48)54(50)52(43)47/h1-36H
InChIKeyBHENXRIIPPYWBB-UHFFFAOYSA-N
XLogP14.38
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline 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

N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
CID 146508836
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 146508772
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
CID 146508773
N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
CID 146508530
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N,4-diphenylaniline
CID 153286399
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
CID 153475734
N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
CID 146508978
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146508951) is 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is BHENXRIIPPYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-13-37(14-5-1)39-23-30-44(31-24-39)53(45-32-25-40(26-33-45)38-15-6-2-7-16-38)46-34-27-41(28-35-46)47-21-12-19-43-29-36-50-51(42-17-8-3-9-18-42)48-20-10-11-22-49(48)54(50)52(43)47/h1-36H.
What are the key properties of 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).