2-methyl-1,1,3,3-tetraphenylisoindole

C33H27N — CID 59344232

IUPAC2-methyl-1,1,3,3-tetraphenylisoindole
SMILESCN1C(c2ccccc2)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H27N/c1-34-32(26-16-6-2-7-17-26,27-18-8-3-9-19-27)30-24-14-15-25-31(30)33(34,28-20-10-4-11-21-28)29-22-12-5-13-23-29/h2-25H,1H3
InChIKeyQMLIGGUBRIJDDR-UHFFFAOYSA-N
MW437.59 g/mol
LogP7.22
Rot. Bonds4

About 2-methyl-1,1,3,3-tetraphenylisoindole

2-methyl-1,1,3,3-tetraphenylisoindole (PubChem CID 59344232) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-methyl-1,1,3,3-tetraphenylisoindole.

Molecular Properties

Compound Name2-methyl-1,1,3,3-tetraphenylisoindole
PubChem CID59344232
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name2-methyl-1,1,3,3-tetraphenylisoindole
SMILESCN1C(c2ccccc2)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H27N/c1-34-32(26-16-6-2-7-17-26,27-18-8-3-9-19-27)30-24-14-15-25-31(30)33(34,28-20-10-4-11-21-28)29-22-12-5-13-23-29/h2-25H,1H3
InChIKeyQMLIGGUBRIJDDR-UHFFFAOYSA-N
XLogP7.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1,3,3-tetraphenylisoindole?
The IUPAC name of 2-methyl-1,1,3,3-tetraphenylisoindole (CID 59344232) is 2-methyl-1,1,3,3-tetraphenylisoindole.
What is the SMILES notation for 2-methyl-1,1,3,3-tetraphenylisoindole?
The canonical SMILES for 2-methyl-1,1,3,3-tetraphenylisoindole is CN1C(c2ccccc2)(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1,1,3,3-tetraphenylisoindole?
The InChIKey is QMLIGGUBRIJDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-34-32(26-16-6-2-7-17-26,27-18-8-3-9-19-27)30-24-14-15-25-31(30)33(34,28-20-10-4-11-21-28)29-22-12-5-13-23-29/h2-25H,1H3.
What are the key properties of 2-methyl-1,1,3,3-tetraphenylisoindole?
2-methyl-1,1,3,3-tetraphenylisoindole has a molecular weight of 437.59 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1,3,3-tetraphenylisoindole is sourced from PubChem (CID 59344232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).