1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol

C34H29NO — CID 165351063

IUPAC1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol
SMILESCc1ccc(N2C(O)(c3ccc(C)cc3)c3ccccc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29NO/c1-25-17-21-29(22-18-25)34(36)32-16-10-9-15-31(32)33(27-11-5-3-6-12-27,28-13-7-4-8-14-28)35(34)30-23-19-26(2)20-24-30/h3-24,36H,1-2H3
InChIKeyPZPQWENUKJXDSU-UHFFFAOYSA-N
MW467.61 g/mol
LogP7.31
Rot. Bonds4

About 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol

1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol (PubChem CID 165351063) has the molecular formula C34H29NO and a molecular weight of 467.61 g/mol. Its IUPAC name is 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol.

Molecular Properties

Compound Name1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol
PubChem CID165351063
Molecular FormulaC34H29NO
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC Name1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol
SMILESCc1ccc(N2C(O)(c3ccc(C)cc3)c3ccccc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29NO/c1-25-17-21-29(22-18-25)34(36)32-16-10-9-15-31(32)33(27-11-5-3-6-12-27,28-13-7-4-8-14-28)35(34)30-23-19-26(2)20-24-30/h3-24,36H,1-2H3
InChIKeyPZPQWENUKJXDSU-UHFFFAOYSA-N
XLogP7.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol?
The IUPAC name of 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol (CID 165351063) is 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol.
What is the SMILES notation for 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol?
The canonical SMILES for 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol is Cc1ccc(N2C(O)(c3ccc(C)cc3)c3ccccc3C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol?
The InChIKey is PZPQWENUKJXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO/c1-25-17-21-29(22-18-25)34(36)32-16-10-9-15-31(32)33(27-11-5-3-6-12-27,28-13-7-4-8-14-28)35(34)30-23-19-26(2)20-24-30/h3-24,36H,1-2H3.
What are the key properties of 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol?
1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol has a molecular weight of 467.61 g/mol, XLogP of 7.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol is sourced from PubChem (CID 165351063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).