(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine

C31H27NO — CID 11743387

IUPAC(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
SMILESCC(C=C(c1ccccc1)c1ccccc1)(C=C(c1ccccc1)c1ccccc1)/C=N/O
InChIInChI=1S/C31H27NO/c1-31(24-32-33,22-29(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-30(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,33H,1H3/b32-24+
InChIKeyNNAQBMHQXPDHCT-FEZSWGLMSA-N
MW429.56 g/mol
LogP7.72
Rot. Bonds7

About (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine

(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine (PubChem CID 11743387) has the molecular formula C31H27NO and a molecular weight of 429.56 g/mol. Its IUPAC name is (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
PubChem CID11743387
Molecular FormulaC31H27NO
Molecular Weight429.56 g/mol
Exact Mass429.21
IUPAC Name(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
SMILESCC(C=C(c1ccccc1)c1ccccc1)(C=C(c1ccccc1)c1ccccc1)/C=N/O
InChIInChI=1S/C31H27NO/c1-31(24-32-33,22-29(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-30(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,33H,1H3/b32-24+
InChIKeyNNAQBMHQXPDHCT-FEZSWGLMSA-N
XLogP7.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine (CID 11743387) is (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine is CC(C=C(c1ccccc1)c1ccccc1)(C=C(c1ccccc1)c1ccccc1)/C=N/O.
What is the InChIKey of (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine?
The InChIKey is NNAQBMHQXPDHCT-FEZSWGLMSA-N. The full InChI is InChI=1S/C31H27NO/c1-31(24-32-33,22-29(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-30(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,33H,1H3/b32-24+.
What are the key properties of (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine?
(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine has a molecular weight of 429.56 g/mol, XLogP of 7.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine is sourced from PubChem (CID 11743387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).