1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

C32H26N2 — CID 141182733

IUPAC1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(=C/c1ccccc1-c1ccc(Nc2ccccc2)cc1Nc1ccccc1)\c1ccccc1
InChIInChI=1S/C32H26N2/c1-4-12-25(13-5-1)20-21-26-14-10-11-19-30(26)31-23-22-29(33-27-15-6-2-7-16-27)24-32(31)34-28-17-8-3-9-18-28/h1-24,33-34H/b21-20+
InChIKeyRAVRYIQMMUMXMK-QZQOTICOSA-N
MW438.57 g/mol
LogP9.01
Rot. Bonds7

About 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (PubChem CID 141182733) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
PubChem CID141182733
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(=C/c1ccccc1-c1ccc(Nc2ccccc2)cc1Nc1ccccc1)\c1ccccc1
InChIInChI=1S/C32H26N2/c1-4-12-25(13-5-1)20-21-26-14-10-11-19-30(26)31-23-22-29(33-27-15-6-2-7-16-27)24-32(31)34-28-17-8-3-9-18-28/h1-24,33-34H/b21-20+
InChIKeyRAVRYIQMMUMXMK-QZQOTICOSA-N
XLogP9.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (CID 141182733) is 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is C(=C/c1ccccc1-c1ccc(Nc2ccccc2)cc1Nc1ccccc1)\c1ccccc1.
What is the InChIKey of 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The InChIKey is RAVRYIQMMUMXMK-QZQOTICOSA-N. The full InChI is InChI=1S/C32H26N2/c1-4-12-25(13-5-1)20-21-26-14-10-11-19-30(26)31-23-22-29(33-27-15-6-2-7-16-27)24-32(31)34-28-17-8-3-9-18-28/h1-24,33-34H/b21-20+.
What are the key properties of 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine has a molecular weight of 438.57 g/mol, XLogP of 9.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diphenyl-4-[2-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 141182733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).