1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine

C34H32N2 — CID 3318035

IUPAC1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1N(c1cccc(N(c2ccccc2C)c2ccccc2C)c1)c1ccccc1C
InChIInChI=1S/C34H32N2/c1-25-14-5-9-20-31(25)35(32-21-10-6-15-26(32)2)29-18-13-19-30(24-29)36(33-22-11-7-16-27(33)3)34-23-12-8-17-28(34)4/h5-24H,1-4H3
InChIKeyVCBMRNNFNKUJNU-UHFFFAOYSA-N
MW468.64 g/mol
LogP9.86
Rot. Bonds6

About 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine (PubChem CID 3318035) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine
PubChem CID3318035
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1N(c1cccc(N(c2ccccc2C)c2ccccc2C)c1)c1ccccc1C
InChIInChI=1S/C34H32N2/c1-25-14-5-9-20-31(25)35(32-21-10-6-15-26(32)2)29-18-13-19-30(24-29)36(33-22-11-7-16-27(33)3)34-23-12-8-17-28(34)4/h5-24H,1-4H3
InChIKeyVCBMRNNFNKUJNU-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,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine (CID 3318035) is 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine is Cc1ccccc1N(c1cccc(N(c2ccccc2C)c2ccccc2C)c1)c1ccccc1C.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine?
The InChIKey is VCBMRNNFNKUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-25-14-5-9-20-31(25)35(32-21-10-6-15-26(32)2)29-18-13-19-30(24-29)36(33-22-11-7-16-27(33)3)34-23-12-8-17-28(34)4/h5-24H,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-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,3-N,3-N-tetrakis(2-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 3318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).