N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine

C44H32N2 — CID 22134300

IUPACN-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(Nc3cccc4ccccc34)ccc2-c2ccc(Nc3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H32N2/c1-3-13-33(14-4-1)41-29-35(45-43-23-11-19-31-17-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)34-15-5-2-6-16-34)46-44-24-12-20-32-18-8-10-22-38(32)44/h1-30,45-46H
InChIKeyWONZQDDKEPQDRS-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.48
Rot. Bonds7

About N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine

N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine (PubChem CID 22134300) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
PubChem CID22134300
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC NameN-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(Nc3cccc4ccccc34)ccc2-c2ccc(Nc3cccc4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H32N2/c1-3-13-33(14-4-1)41-29-35(45-43-23-11-19-31-17-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)34-15-5-2-6-16-34)46-44-24-12-20-32-18-8-10-22-38(32)44/h1-30,45-46H
InChIKeyWONZQDDKEPQDRS-UHFFFAOYSA-N
XLogP12.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine 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-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
CID 144681198

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine (CID 22134300) is N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine is c1ccc(-c2cc(Nc3cccc4ccccc34)ccc2-c2ccc(Nc3cccc4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine?
The InChIKey is WONZQDDKEPQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-3-13-33(14-4-1)41-29-35(45-43-23-11-19-31-17-7-9-21-37(31)43)25-27-39(41)40-28-26-36(30-42(40)34-15-5-2-6-16-34)46-44-24-12-20-32-18-8-10-22-38(32)44/h1-30,45-46H.
What are the key properties of N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine?
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine has a molecular weight of 588.75 g/mol, XLogP of 12.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine is sourced from PubChem (CID 22134300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).