(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine

C27H21NO — CID 170551705

IUPAC(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H21NO/c29-28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,29H/b28-20+
InChIKeyRHDSUAHZUBXVKG-VFCFBJKWSA-N
MW375.47 g/mol
LogP6.50
Rot. Bonds5

About (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine (PubChem CID 170551705) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
PubChem CID170551705
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H21NO/c29-28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,29H/b28-20+
InChIKeyRHDSUAHZUBXVKG-VFCFBJKWSA-N
XLogP6.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
N-(azulen-6-ylmethylidene)hydroxylamine
CID 73184151
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]pyridine
CID 102493364
2-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethanone
CID 135765089
2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethanone chloride
CID 135896181
styrene;1,2,2-triphenylethenylbenzene
CID 161183519

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine (CID 170551705) is (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine?
The InChIKey is RHDSUAHZUBXVKG-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H21NO/c29-28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20,29H/b28-20+.
What are the key properties of (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine has a molecular weight of 375.47 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 170551705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).