N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine

C32H22N2O2 — CID 59181302

IUPACN-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C32H22N2O2/c35-34(36)26-19-17-24(18-20-26)27-21-22-32(30-15-7-6-14-29(27)30)33(25-11-2-1-3-12-25)31-16-8-10-23-9-4-5-13-28(23)31/h1-22H
InChIKeyTWHKXRQYKPOTBZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP9.04
Rot. Bonds5

About N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine

N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine (PubChem CID 59181302) has the molecular formula C32H22N2O2 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
PubChem CID59181302
Molecular FormulaC32H22N2O2
Molecular Weight466.54 g/mol
Exact Mass466.17
IUPAC NameN-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C32H22N2O2/c35-34(36)26-19-17-24(18-20-26)27-21-22-32(30-15-7-6-14-29(27)30)33(25-11-2-1-3-12-25)31-16-8-10-23-9-4-5-13-28(23)31/h1-22H
InChIKeyTWHKXRQYKPOTBZ-UHFFFAOYSA-N
XLogP9.04
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-(4-nitrophenyl)-N-phenylpyren-1-amine
CID 139261293
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
2-N-naphthalen-1-yl-1-N,1-N-bis[2-(N-naphthalen-1-ylanilino)-4-phenylphenyl]-2-N,4-diphenylbenzene-1,2-diamine
CID 58251500
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 159269643
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine (CID 59181302) is N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine is O=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is TWHKXRQYKPOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O2/c35-34(36)26-19-17-24(18-20-26)27-21-22-32(30-15-7-6-14-29(27)30)33(25-11-2-1-3-12-25)31-16-8-10-23-9-4-5-13-28(23)31/h1-22H.
What are the key properties of N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine?
N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine has a molecular weight of 466.54 g/mol, XLogP of 9.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-(4-nitrophenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 59181302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).