N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine

C32H23N — CID 171456448

IUPACN-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cc(Nc4ccc5ccccc5c4)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C32H23N/c1-2-8-23(9-3-1)25-14-16-26(17-15-25)29-20-28-12-6-7-13-31(28)32(22-29)33-30-19-18-24-10-4-5-11-27(24)21-30/h1-22,33H
InChIKeyPAVYAVZBZAHCLU-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.07
Rot. Bonds4

About N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine

N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 171456448) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine
PubChem CID171456448
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cc(Nc4ccc5ccccc5c4)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C32H23N/c1-2-8-23(9-3-1)25-14-16-26(17-15-25)29-20-28-12-6-7-13-31(28)32(22-29)33-30-19-18-24-10-4-5-11-27(24)21-30/h1-22,33H
InChIKeyPAVYAVZBZAHCLU-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine (CID 171456448) is N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(-c3cc(Nc4ccc5ccccc5c4)c4ccccc4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is PAVYAVZBZAHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-2-8-23(9-3-1)25-14-16-26(17-15-25)29-20-28-12-6-7-13-31(28)32(22-29)33-30-19-18-24-10-4-5-11-27(24)21-30/h1-22,33H.
What are the key properties of N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine?
N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 421.54 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 171456448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).