2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene

C35H32 — CID 23495489

IUPAC2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C35H32/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-23,28-29H,9,16-17H2,1-2H3
InChIKeyPPIOYHREVVEXMS-UHFFFAOYSA-N
MW452.64 g/mol
LogP9.89
Rot. Bonds6

About 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene

2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene (PubChem CID 23495489) has the molecular formula C35H32 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
PubChem CID23495489
Molecular FormulaC35H32
Molecular Weight452.64 g/mol
Exact Mass452.25
IUPAC Name2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C35H32/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-23,28-29H,9,16-17H2,1-2H3
InChIKeyPPIOYHREVVEXMS-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The IUPAC name of 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene (CID 23495489) is 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene.
What is the SMILES notation for 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The canonical SMILES for 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene is CC1=Cc2c(-c3ccccc3)cccc2C1CCCC1C(C)=Cc2c(-c3ccccc3)cccc21.
What is the InChIKey of 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
The InChIKey is PPIOYHREVVEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32/c1-24-22-34-30(26-12-5-3-6-13-26)18-10-20-32(34)28(24)16-9-17-29-25(2)23-35-31(19-11-21-33(29)35)27-14-7-4-8-15-27/h3-8,10-15,18-23,28-29H,9,16-17H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene?
2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene has a molecular weight of 452.64 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene is sourced from PubChem (CID 23495489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).