2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene

C27H32 — CID 91591176

IUPAC2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene
SMILESCC1=Cc2ccc(C(C)C)cc2C1CC1C(C)=Cc2ccc(C(C)C)cc21
InChIInChI=1S/C27H32/c1-16(2)20-7-9-22-11-18(5)24(26(22)13-20)15-25-19(6)12-23-10-8-21(17(3)4)14-27(23)25/h7-14,16-17,24-25H,15H2,1-6H3
InChIKeyIEYICKOCKCKWLC-UHFFFAOYSA-N
MW356.55 g/mol
LogP8.02
Rot. Bonds4

About 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene

2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene (PubChem CID 91591176) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene
PubChem CID91591176
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene
SMILESCC1=Cc2ccc(C(C)C)cc2C1CC1C(C)=Cc2ccc(C(C)C)cc21
InChIInChI=1S/C27H32/c1-16(2)20-7-9-22-11-18(5)24(26(22)13-20)15-25-19(6)12-23-10-8-21(17(3)4)14-27(23)25/h7-14,16-17,24-25H,15H2,1-6H3
InChIKeyIEYICKOCKCKWLC-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene?
The IUPAC name of 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene (CID 91591176) is 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene.
What is the SMILES notation for 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene?
The canonical SMILES for 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene is CC1=Cc2ccc(C(C)C)cc2C1CC1C(C)=Cc2ccc(C(C)C)cc21.
What is the InChIKey of 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene?
The InChIKey is IEYICKOCKCKWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-16(2)20-7-9-22-11-18(5)24(26(22)13-20)15-25-19(6)12-23-10-8-21(17(3)4)14-27(23)25/h7-14,16-17,24-25H,15H2,1-6H3.
What are the key properties of 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene?
2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene has a molecular weight of 356.55 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-6-propan-2-yl-1H-inden-1-yl)methyl]-6-propan-2-yl-1H-indene is sourced from PubChem (CID 91591176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).