N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline

C62H42N2 — CID 146508469

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-13-43(14-4-1)44-25-27-45(28-26-44)46-29-35-52(36-30-46)64(53-37-31-49(32-38-53)56-22-11-19-47-15-7-9-20-55(47)56)54-39-33-50(34-40-54)57-23-12-24-59-60(51-17-5-2-6-18-51)62-58-21-10-8-16-48(58)41-42-63(62)61(57)59/h1-42H
InChIKeyZEXXBBXRHWNXKK-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.20
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 146508469) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID146508469
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-13-43(14-4-1)44-25-27-45(28-26-44)46-29-35-52(36-30-46)64(53-37-31-49(32-38-53)56-22-11-19-47-15-7-9-20-55(47)56)54-39-33-50(34-40-54)57-23-12-24-59-60(51-17-5-2-6-18-51)62-58-21-10-8-16-48(58)41-42-63(62)61(57)59/h1-42H
InChIKeyZEXXBBXRHWNXKK-UHFFFAOYSA-N
XLogP17.20
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(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-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 146508974
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
CID 146508462
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-dibenzofuran-3-yl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]aniline;N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,3,5-triphenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]aniline
CID 158461852
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508947

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 146508469) is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is ZEXXBBXRHWNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-13-43(14-4-1)44-25-27-45(28-26-44)46-29-35-52(36-30-46)64(53-37-31-49(32-38-53)56-22-11-19-47-15-7-9-20-55(47)56)54-39-33-50(34-40-54)57-23-12-24-59-60(51-17-5-2-6-18-51)62-58-21-10-8-16-48(58)41-42-63(62)61(57)59/h1-42H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).