4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine

C22H19N3 — CID 90757689

IUPAC4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
SMILESNc1ccc(-c2ccc(N)cc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c23-17-10-8-16(9-11-17)20-13-12-18(24)14-22(20)25-21-7-3-5-15-4-1-2-6-19(15)21/h1-14,25H,23-24H2
InChIKeyOGCROLGRWWVIMN-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.41
Rot. Bonds3

About 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine

4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine (PubChem CID 90757689) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
PubChem CID90757689
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
SMILESNc1ccc(-c2ccc(N)cc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H19N3/c23-17-10-8-16(9-11-17)20-13-12-18(24)14-22(20)25-21-7-3-5-15-4-1-2-6-19(15)21/h1-14,25H,23-24H2
InChIKeyOGCROLGRWWVIMN-UHFFFAOYSA-N
XLogP5.41
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
4-anthracen-1-ylaniline
CID 18974595
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
2-(4-aminophenyl)naphthalen-1-ol
CID 154335027
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine?
The IUPAC name of 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine (CID 90757689) is 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine?
The canonical SMILES for 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine is Nc1ccc(-c2ccc(N)cc2Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine?
The InChIKey is OGCROLGRWWVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c23-17-10-8-16(9-11-17)20-13-12-18(24)14-22(20)25-21-7-3-5-15-4-1-2-6-19(15)21/h1-14,25H,23-24H2.
What are the key properties of 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine?
4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine has a molecular weight of 325.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine is sourced from PubChem (CID 90757689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).