(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine

C32H32N2 — CID 134315546

IUPAC(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine
SMILES[H]/N=C/c1cc(/C(C(C)=C=C)=C(\C)N/C(C)=C(/C(=C)c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C32H32N2/c1-7-22(2)31(29-19-18-23(3)30(20-29)21-33)25(5)34-26(6)32(28-16-12-9-13-17-28)24(4)27-14-10-8-11-15-27/h8-21,33-34H,1,4H2,2-3,5-6H3/b31-25+,32-26-,33-21+
InChIKeyQIZWCDAZHFBFLG-GMWQADJGSA-N
MW444.62 g/mol
LogP8.19
Rot. Bonds8

About (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine

(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine (PubChem CID 134315546) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine.

Molecular Properties

Compound Name(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine
PubChem CID134315546
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine
SMILES[H]/N=C/c1cc(/C(C(C)=C=C)=C(\C)N/C(C)=C(/C(=C)c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C32H32N2/c1-7-22(2)31(29-19-18-23(3)30(20-29)21-33)25(5)34-26(6)32(28-16-12-9-13-17-28)24(4)27-14-10-8-11-15-27/h8-21,33-34H,1,4H2,2-3,5-6H3/b31-25+,32-26-,33-21+
InChIKeyQIZWCDAZHFBFLG-GMWQADJGSA-N
XLogP8.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine with MolForge

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Related Compounds

(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]-2-[[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]amino]but-2-en-1-ol
CID 134315618
[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 143605235
[2-methyl-5-[(3E)-penta-1,3-dien-3-yl]phenyl]methanimine
CID 145262211
(1Z)-1-N-[(E)-3-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]but-2-en-2-yl]-1-N'-ethenyl-1-N'-methyl-2,3-diphenylbuta-1,3-diene-1,1-diamine
CID 134315495
3-methanimidoyl-4-methylaniline
CID 142987257
2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
N-(4-amino-3-methanimidoylphenyl)-N',2-dimethylbenzenecarboximidamide;3-methylidenepentane
CID 167447359
(2Z)-4-bromo-3-methyl-1-phenylpenta-2,4-dien-1-imine
CID 131981966
[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
CID 144607664

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine?
The IUPAC name of (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine (CID 134315546) is (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine.
What is the SMILES notation for (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine?
The canonical SMILES for (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine is [H]/N=C/c1cc(/C(C(C)=C=C)=C(\C)N/C(C)=C(/C(=C)c2ccccc2)c2ccccc2)ccc1C.
What is the InChIKey of (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine?
The InChIKey is QIZWCDAZHFBFLG-GMWQADJGSA-N. The full InChI is InChI=1S/C32H32N2/c1-7-22(2)31(29-19-18-23(3)30(20-29)21-33)25(5)34-26(6)32(28-16-12-9-13-17-28)24(4)27-14-10-8-11-15-27/h8-21,33-34H,1,4H2,2-3,5-6H3/b31-25+,32-26-,33-21+.
What are the key properties of (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine?
(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine has a molecular weight of 444.62 g/mol, XLogP of 8.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine is sourced from PubChem (CID 134315546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).