N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine

C29H21NO — CID 13308738

IUPACN-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21NO/c31-30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20,31H
InChIKeyQXSUYROYDSCMHB-UHFFFAOYSA-N
MW399.49 g/mol
LogP7.05
Rot. Bonds4

About N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine

N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine (PubChem CID 13308738) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine
PubChem CID13308738
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC NameN-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine
SMILESON=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21NO/c31-30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20,31H
InChIKeyQXSUYROYDSCMHB-UHFFFAOYSA-N
XLogP7.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 57.05
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine?
The IUPAC name of N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine (CID 13308738) is N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine?
The canonical SMILES for N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine is ON=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine?
The InChIKey is QXSUYROYDSCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c31-30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20,31H.
What are the key properties of N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine?
N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine has a molecular weight of 399.49 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)hydroxylamine is sourced from PubChem (CID 13308738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).