1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine

C48H36N4 — CID 142741242

IUPAC1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
SMILESc1ccc2c(Nc3ccc(N(c4ccc(Nc5cccc6ccccc56)cc4)c4ccc(Nc5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C48H36N4/c1-4-16-43-34(10-1)13-7-19-46(43)49-37-22-28-40(29-23-37)52(41-30-24-38(25-31-41)50-47-20-8-14-35-11-2-5-17-44(35)47)42-32-26-39(27-33-42)51-48-21-9-15-36-12-3-6-18-45(36)48/h1-33,49-51H
InChIKeySXOOXEHGRKQMLP-UHFFFAOYSA-N
MW668.84 g/mol
LogP13.85
Rot. Bonds9

About 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine

1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine (PubChem CID 142741242) has the molecular formula C48H36N4 and a molecular weight of 668.84 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
PubChem CID142741242
Molecular FormulaC48H36N4
Molecular Weight668.84 g/mol
Exact Mass668.29
IUPAC Name1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
SMILESc1ccc2c(Nc3ccc(N(c4ccc(Nc5cccc6ccccc56)cc4)c4ccc(Nc5cccc6ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C48H36N4/c1-4-16-43-34(10-1)13-7-19-46(43)49-37-22-28-40(29-23-37)52(41-30-24-38(25-31-41)50-47-20-8-14-35-11-2-5-17-44(35)47)42-32-26-39(27-33-42)51-48-21-9-15-36-12-3-6-18-45(36)48/h1-33,49-51H
InChIKeySXOOXEHGRKQMLP-UHFFFAOYSA-N
XLogP13.85
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 513.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-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

1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
CID 154127820
4-(4-bromophenyl)-N,N-diphenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;N-[4-[4-(naphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine;4-[4-[4-(5-phenylthiophen-2-yl)anilino]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-amine;4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 159851043
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
CID 18331969
N-[4-[12-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]chrysen-6-yl]phenyl]naphthalen-1-amine
CID 59987803

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine (CID 142741242) is 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine is c1ccc2c(Nc3ccc(N(c4ccc(Nc5cccc6ccccc56)cc4)c4ccc(Nc5cccc6ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine?
The InChIKey is SXOOXEHGRKQMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4/c1-4-16-43-34(10-1)13-7-19-46(43)49-37-22-28-40(29-23-37)52(41-30-24-38(25-31-41)50-47-20-8-14-35-11-2-5-17-44(35)47)42-32-26-39(27-33-42)51-48-21-9-15-36-12-3-6-18-45(36)48/h1-33,49-51H.
What are the key properties of 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine?
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine has a molecular weight of 668.84 g/mol, XLogP of 13.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 142741242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).