1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine

C30H24N2 — CID 22968504

IUPAC1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccccc2Nc2ccccc2Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H24N2/c1-3-13-23(14-4-1)25-17-7-9-19-27(25)31-29-21-11-12-22-30(29)32-28-20-10-8-18-26(28)24-15-5-2-6-16-24/h1-22,31-32H
InChIKeyNDDCSMOWKDJQNM-UHFFFAOYSA-N
MW412.54 g/mol
LogP8.51
Rot. Bonds6

About 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine

1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine (PubChem CID 22968504) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
PubChem CID22968504
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccccc2Nc2ccccc2Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H24N2/c1-3-13-23(14-4-1)25-17-7-9-19-27(25)31-29-21-11-12-22-30(29)32-28-20-10-8-18-26(28)24-15-5-2-6-16-24/h1-22,31-32H
InChIKeyNDDCSMOWKDJQNM-UHFFFAOYSA-N
XLogP8.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine (CID 22968504) is 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine is c1ccc(-c2ccccc2Nc2ccccc2Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine?
The InChIKey is NDDCSMOWKDJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-3-13-23(14-4-1)25-17-7-9-19-27(25)31-29-21-11-12-22-30(29)32-28-20-10-8-18-26(28)24-15-5-2-6-16-24/h1-22,31-32H.
What are the key properties of 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine?
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine has a molecular weight of 412.54 g/mol, XLogP of 8.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 22968504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).