8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine

C32H24N2 — CID 129134031

IUPAC8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine
SMILESNc1cccc2cccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)c12
InChIInChI=1S/C32H24N2/c33-31-16-8-10-23-9-7-15-30(32(23)31)26-18-17-25-22-29(20-19-24(25)21-26)34(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-22H,33H2
InChIKeyDVBHUIYQPYZRBB-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.71
Rot. Bonds4

About 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine

8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine (PubChem CID 129134031) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine.

Molecular Properties

Compound Name8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine
PubChem CID129134031
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine
SMILESNc1cccc2cccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)c12
InChIInChI=1S/C32H24N2/c33-31-16-8-10-23-9-7-15-30(32(23)31)26-18-17-25-22-29(20-19-24(25)21-26)34(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-22H,33H2
InChIKeyDVBHUIYQPYZRBB-UHFFFAOYSA-N
XLogP8.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864

Frequently Asked Questions

What is the IUPAC name of 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine?
The IUPAC name of 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine (CID 129134031) is 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine.
What is the SMILES notation for 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine?
The canonical SMILES for 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine is Nc1cccc2cccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)c12.
What is the InChIKey of 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine?
The InChIKey is DVBHUIYQPYZRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c33-31-16-8-10-23-9-7-15-30(32(23)31)26-18-17-25-22-29(20-19-24(25)21-26)34(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-22H,33H2.
What are the key properties of 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine?
8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine has a molecular weight of 436.56 g/mol, XLogP of 8.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-amine is sourced from PubChem (CID 129134031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).