1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene

C30H26 — CID 155933915

IUPAC1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene
SMILESCc1cc(C)c(C2=CC(c3ccccc3)(c3ccccc3)c3ccccc32)c(C)c1
InChIInChI=1S/C30H26/c1-21-18-22(2)29(23(3)19-21)27-20-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)28-17-11-10-16-26(27)28/h4-20H,1-3H3
InChIKeyBOHQIYLJJJKAFJ-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.39
Rot. Bonds3

About 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene

1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene (PubChem CID 155933915) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene.

Molecular Properties

Compound Name1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene
PubChem CID155933915
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene
SMILESCc1cc(C)c(C2=CC(c3ccccc3)(c3ccccc3)c3ccccc32)c(C)c1
InChIInChI=1S/C30H26/c1-21-18-22(2)29(23(3)19-21)27-20-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)28-17-11-10-16-26(27)28/h4-20H,1-3H3
InChIKeyBOHQIYLJJJKAFJ-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene?
The IUPAC name of 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene (CID 155933915) is 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene.
What is the SMILES notation for 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene?
The canonical SMILES for 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene is Cc1cc(C)c(C2=CC(c3ccccc3)(c3ccccc3)c3ccccc32)c(C)c1.
What is the InChIKey of 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene?
The InChIKey is BOHQIYLJJJKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-21-18-22(2)29(23(3)19-21)27-20-30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)28-17-11-10-16-26(27)28/h4-20H,1-3H3.
What are the key properties of 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene?
1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene has a molecular weight of 386.54 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene is sourced from PubChem (CID 155933915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).