1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol

C30H30N2O2 — CID 136756610

IUPAC1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol
SMILESCOc1ccc(/N=C/c2c(O)c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)cc1
InChIInChI=1S/C30H30N2O2/c1-34-26-19-17-24(18-20-26)31-21-27-30(33)28(22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32(27)25-15-9-4-10-16-25/h2-3,5-8,11-14,17-21,25,33H,4,9-10,15-16H2,1H3/b31-21+
InChIKeyOWQUXFCGHLFEQB-NJZRLIGZSA-N
MW450.58 g/mol
LogP7.79
Rot. Bonds6

About 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol

1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol (PubChem CID 136756610) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol
PubChem CID136756610
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol
SMILESCOc1ccc(/N=C/c2c(O)c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)cc1
InChIInChI=1S/C30H30N2O2/c1-34-26-19-17-24(18-20-26)31-21-27-30(33)28(22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32(27)25-15-9-4-10-16-25/h2-3,5-8,11-14,17-21,25,33H,4,9-10,15-16H2,1H3/b31-21+
InChIKeyOWQUXFCGHLFEQB-NJZRLIGZSA-N
XLogP7.79
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol?
The IUPAC name of 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol (CID 136756610) is 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol.
What is the SMILES notation for 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol?
The canonical SMILES for 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol is COc1ccc(/N=C/c2c(O)c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol?
The InChIKey is OWQUXFCGHLFEQB-NJZRLIGZSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-34-26-19-17-24(18-20-26)31-21-27-30(33)28(22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32(27)25-15-9-4-10-16-25/h2-3,5-8,11-14,17-21,25,33H,4,9-10,15-16H2,1H3/b31-21+.
What are the key properties of 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol?
1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol has a molecular weight of 450.58 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-methoxyphenyl)iminomethyl]-4,5-diphenylpyrrol-3-ol is sourced from PubChem (CID 136756610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).