4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine

C30H32N2 — CID 71331572

IUPAC4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)c1cccc(Nc2ccc(N)cc2)c1C(C)(C)c1ccccc1
InChIInChI=1S/C30H32N2/c1-29(2,22-12-7-5-8-13-22)26-16-11-17-27(32-25-20-18-24(31)19-21-25)28(26)30(3,4)23-14-9-6-10-15-23/h5-21,32H,31H2,1-4H3
InChIKeyUBZTYVALKKJNFQ-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.66
Rot. Bonds6

About 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine

4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 71331572) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
PubChem CID71331572
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)c1cccc(Nc2ccc(N)cc2)c1C(C)(C)c1ccccc1
InChIInChI=1S/C30H32N2/c1-29(2,22-12-7-5-8-13-22)26-16-11-17-27(32-25-20-18-24(31)19-21-25)28(26)30(3,4)23-14-9-6-10-15-23/h5-21,32H,31H2,1-4H3
InChIKeyUBZTYVALKKJNFQ-UHFFFAOYSA-N
XLogP7.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine (CID 71331572) is 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine is CC(C)(c1ccccc1)c1cccc(Nc2ccc(N)cc2)c1C(C)(C)c1ccccc1.
What is the InChIKey of 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is UBZTYVALKKJNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-29(2,22-12-7-5-8-13-22)26-16-11-17-27(32-25-20-18-24(31)19-21-25)28(26)30(3,4)23-14-9-6-10-15-23/h5-21,32H,31H2,1-4H3.
What are the key properties of 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 420.60 g/mol, XLogP of 7.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2,3-bis(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 71331572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).