1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C62H44N4 — CID 177275896

IUPAC1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H44N4/c1-4-22-49(23-5-1)63(56-36-34-45-18-10-12-20-47(45)40-56)52-28-16-30-54(42-52)65(58-38-39-62-60(44-58)59-32-14-15-33-61(59)66(62)51-26-8-3-9-27-51)55-31-17-29-53(43-55)64(50-24-6-2-7-25-50)57-37-35-46-19-11-13-21-48(46)41-57/h1-44H
InChIKeyPWOMQMUSPWTZOA-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.50
Rot. Bonds10

About 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 177275896) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID177275896
Molecular FormulaC62H44N4
Molecular Weight845.06 g/mol
Exact Mass844.36
IUPAC Name1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H44N4/c1-4-22-49(23-5-1)63(56-36-34-45-18-10-12-20-47(45)40-56)52-28-16-30-54(42-52)65(58-38-39-62-60(44-58)59-32-14-15-33-61(59)66(62)51-26-8-3-9-27-51)55-31-17-29-53(43-55)64(50-24-6-2-7-25-50)57-37-35-46-19-11-13-21-48(46)41-57/h1-44H
InChIKeyPWOMQMUSPWTZOA-UHFFFAOYSA-N
XLogP17.50
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine 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-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417823
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 177275896) is 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is c1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is PWOMQMUSPWTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N4/c1-4-22-49(23-5-1)63(56-36-34-45-18-10-12-20-47(45)40-56)52-28-16-30-54(42-52)65(58-38-39-62-60(44-58)59-32-14-15-33-61(59)66(62)51-26-8-3-9-27-51)55-31-17-29-53(43-55)64(50-24-6-2-7-25-50)57-37-35-46-19-11-13-21-48(46)41-57/h1-44H.
What are the key properties of 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 845.06 g/mol, XLogP of 17.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 177275896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).