(3,3-diphenylisoindol-1-yl)-phenylmethanone

C27H19NO — CID 10090738

IUPAC(3,3-diphenylisoindol-1-yl)-phenylmethanone
SMILESO=C(C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H19NO/c29-26(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)27(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyCNZOUFWKFLVKDA-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.66
Rot. Bonds4

About (3,3-diphenylisoindol-1-yl)-phenylmethanone

(3,3-diphenylisoindol-1-yl)-phenylmethanone (PubChem CID 10090738) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is (3,3-diphenylisoindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,3-diphenylisoindol-1-yl)-phenylmethanone
PubChem CID10090738
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name(3,3-diphenylisoindol-1-yl)-phenylmethanone
SMILESO=C(C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H19NO/c29-26(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)27(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyCNZOUFWKFLVKDA-UHFFFAOYSA-N
XLogP5.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylisoindol-1-yl)-phenylmethanone?
The IUPAC name of (3,3-diphenylisoindol-1-yl)-phenylmethanone (CID 10090738) is (3,3-diphenylisoindol-1-yl)-phenylmethanone.
What is the SMILES notation for (3,3-diphenylisoindol-1-yl)-phenylmethanone?
The canonical SMILES for (3,3-diphenylisoindol-1-yl)-phenylmethanone is O=C(C1=NC(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of (3,3-diphenylisoindol-1-yl)-phenylmethanone?
The InChIKey is CNZOUFWKFLVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO/c29-26(20-12-4-1-5-13-20)25-23-18-10-11-19-24(23)27(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of (3,3-diphenylisoindol-1-yl)-phenylmethanone?
(3,3-diphenylisoindol-1-yl)-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylisoindol-1-yl)-phenylmethanone is sourced from PubChem (CID 10090738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).