3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one

C66H56O2 — CID 159606911

IUPAC3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one
SMILESCC1=C(CCC2=C(C)c3cccc(-c4ccccc4)c3C2)Cc2c1cccc2-c1ccccc1.O=C1c2cccc(-c3ccccc3)c2CC1CCC1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C34H30.C32H26O2/c1-23-27(21-33-29(23)15-9-17-31(33)25-11-5-3-6-12-25)19-20-28-22-34-30(24(28)2)16-10-18-32(34)26-13-7-4-8-14-26;33-31-23(19-29-25(13-7-15-27(29)31)21-9-3-1-4-10-21)17-18-24-20-30-26(22-11-5-2-6-12-22)14-8-16-28(30)32(24)34/h3-18H,19-22H2,1-2H3;1-16,23-24H,17-20H2
InChIKeyMMERFCSPZDMEQF-UHFFFAOYSA-N
MW881.17 g/mol
LogP16.37
Rot. Bonds10

About 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one

3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one (PubChem CID 159606911) has the molecular formula C66H56O2 and a molecular weight of 881.17 g/mol. Its IUPAC name is 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one
PubChem CID159606911
Molecular FormulaC66H56O2
Molecular Weight881.17 g/mol
Exact Mass880.43
IUPAC Name3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one
SMILESCC1=C(CCC2=C(C)c3cccc(-c4ccccc4)c3C2)Cc2c1cccc2-c1ccccc1.O=C1c2cccc(-c3ccccc3)c2CC1CCC1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C34H30.C32H26O2/c1-23-27(21-33-29(23)15-9-17-31(33)25-11-5-3-6-12-25)19-20-28-22-34-30(24(28)2)16-10-18-32(34)26-13-7-4-8-14-26;33-31-23(19-29-25(13-7-15-27(29)31)21-9-3-1-4-10-21)17-18-24-20-30-26(22-11-5-2-6-12-22)14-8-16-28(30)32(24)34/h3-18H,19-22H2,1-2H3;1-16,23-24H,17-20H2
InChIKeyMMERFCSPZDMEQF-UHFFFAOYSA-N
XLogP16.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.17
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one (CID 159606911) is 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one is CC1=C(CCC2=C(C)c3cccc(-c4ccccc4)c3C2)Cc2c1cccc2-c1ccccc1.O=C1c2cccc(-c3ccccc3)c2CC1CCC1Cc2c(cccc2-c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one?
The InChIKey is MMERFCSPZDMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30.C32H26O2/c1-23-27(21-33-29(23)15-9-17-31(33)25-11-5-3-6-12-25)19-20-28-22-34-30(24(28)2)16-10-18-32(34)26-13-7-4-8-14-26;33-31-23(19-29-25(13-7-15-27(29)31)21-9-3-1-4-10-21)17-18-24-20-30-26(22-11-5-2-6-12-22)14-8-16-28(30)32(24)34/h3-18H,19-22H2,1-2H3;1-16,23-24H,17-20H2.
What are the key properties of 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one?
3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one has a molecular weight of 881.17 g/mol, XLogP of 16.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 159606911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).