2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine

C34H26N2 — CID 170900385

IUPAC2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccccc2Nc2ccccc2Nc2c(-c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-3-13-25(14-4-1)28-18-9-10-20-31(28)35-32-21-11-12-22-33(32)36-34-29-19-8-7-17-27(29)23-24-30(34)26-15-5-2-6-16-26/h1-24,35-36H
InChIKeyXDBPZHWQLWXPJP-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.66
Rot. Bonds6

About 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine

2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine (PubChem CID 170900385) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine
PubChem CID170900385
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccccc2Nc2ccccc2Nc2c(-c3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C34H26N2/c1-3-13-25(14-4-1)28-18-9-10-20-31(28)35-32-21-11-12-22-33(32)36-34-29-19-8-7-17-27(29)23-24-30(34)26-15-5-2-6-16-26/h1-24,35-36H
InChIKeyXDBPZHWQLWXPJP-UHFFFAOYSA-N
XLogP9.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine (CID 170900385) is 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine is c1ccc(-c2ccccc2Nc2ccccc2Nc2c(-c3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine?
The InChIKey is XDBPZHWQLWXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-3-13-25(14-4-1)28-18-9-10-20-31(28)35-32-21-11-12-22-33(32)36-34-29-19-8-7-17-27(29)23-24-30(34)26-15-5-2-6-16-26/h1-24,35-36H.
What are the key properties of 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine?
2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine has a molecular weight of 462.60 g/mol, XLogP of 9.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylnaphthalen-1-yl)-1-N-(2-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 170900385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).