1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine

C34H32N2 — CID 10961663

IUPAC1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C34H32N2/c1-25-9-17-29(18-10-25)35(30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)36(31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3
InChIKeyKAHJCJLXCFPNGK-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.86
Rot. Bonds6

About 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine

1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine (PubChem CID 10961663) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine
PubChem CID10961663
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C34H32N2/c1-25-9-17-29(18-10-25)35(30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)36(31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3
InChIKeyKAHJCJLXCFPNGK-UHFFFAOYSA-N
XLogP9.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine (CID 10961663) is 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccccc2N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is KAHJCJLXCFPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-25-9-17-29(18-10-25)35(30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)36(31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine?
1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 468.64 g/mol, XLogP of 9.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 10961663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).