1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile

C30H24N2O — CID 11247392

IUPAC1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile
SMILESCc1ccc(-c2c(C(O)c3ccccc3)c3cc(C#N)ccn3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H24N2O/c1-20-8-12-23(13-9-20)27-28(30(33)25-6-4-3-5-7-25)26-18-22(19-31)16-17-32(26)29(27)24-14-10-21(2)11-15-24/h3-18,30,33H,1-2H3
InChIKeyFNZWOZJMGMXQDV-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.84
Rot. Bonds4

About 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile

1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile (PubChem CID 11247392) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile
PubChem CID11247392
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile
SMILESCc1ccc(-c2c(C(O)c3ccccc3)c3cc(C#N)ccn3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H24N2O/c1-20-8-12-23(13-9-20)27-28(30(33)25-6-4-3-5-7-25)26-18-22(19-31)16-17-32(26)29(27)24-14-10-21(2)11-15-24/h3-18,30,33H,1-2H3
InChIKeyFNZWOZJMGMXQDV-UHFFFAOYSA-N
XLogP6.84
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
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[1-[(4-Fluorophenyl)methyl]indol-3-yl]methanol
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[1-[(3-Methylphenyl)methyl]indol-3-yl]methanol
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CID 20109672

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile?
The IUPAC name of 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile (CID 11247392) is 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile.
What is the SMILES notation for 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile?
The canonical SMILES for 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile is Cc1ccc(-c2c(C(O)c3ccccc3)c3cc(C#N)ccn3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile?
The InChIKey is FNZWOZJMGMXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-20-8-12-23(13-9-20)27-28(30(33)25-6-4-3-5-7-25)26-18-22(19-31)16-17-32(26)29(27)24-14-10-21(2)11-15-24/h3-18,30,33H,1-2H3.
What are the key properties of 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile?
1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile has a molecular weight of 428.54 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(phenyl)methyl]-2,3-bis(4-methylphenyl)indolizine-7-carbonitrile is sourced from PubChem (CID 11247392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).