1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole

C32H29NO — CID 170782834

IUPAC1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole
SMILESCc1ccc(C2(c3cn(C)c4ccccc34)CCC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C32H29NO/c1-24-17-19-27(20-18-24)32(29-23-33(2)30-16-10-9-15-28(29)30)22-21-31(34-32,25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,23H,21-22H2,1-2H3
InChIKeyUDYWPWKXXCSOQD-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.48
Rot. Bonds4

About 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole

1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole (PubChem CID 170782834) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole
PubChem CID170782834
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole
SMILESCc1ccc(C2(c3cn(C)c4ccccc34)CCC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C32H29NO/c1-24-17-19-27(20-18-24)32(29-23-33(2)30-16-10-9-15-28(29)30)22-21-31(34-32,25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,23H,21-22H2,1-2H3
InChIKeyUDYWPWKXXCSOQD-UHFFFAOYSA-N
XLogP7.48
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole?
The IUPAC name of 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole (CID 170782834) is 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole.
What is the SMILES notation for 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole?
The canonical SMILES for 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole is Cc1ccc(C2(c3cn(C)c4ccccc34)CCC(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole?
The InChIKey is UDYWPWKXXCSOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO/c1-24-17-19-27(20-18-24)32(29-23-33(2)30-16-10-9-15-28(29)30)22-21-31(34-32,25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,23H,21-22H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole?
1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole has a molecular weight of 443.59 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole is sourced from PubChem (CID 170782834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).