2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene

C32H34 — CID 91111447

IUPAC2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene
SMILESCC1=Cc2ccc(C3C(C)=C(C(C)C)c4ccccc43)c(-c3ccccc3)c2C1C(C)C
InChIInChI=1S/C32H34/c1-19(2)28-21(5)18-24-16-17-27(31(32(24)28)23-12-8-7-9-13-23)30-22(6)29(20(3)4)25-14-10-11-15-26(25)30/h7-20,28,30H,1-6H3
InChIKeyXQGKALUYTCWBRW-UHFFFAOYSA-N
MW418.62 g/mol
LogP9.09
Rot. Bonds4

About 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene

2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene (PubChem CID 91111447) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene
PubChem CID91111447
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene
SMILESCC1=Cc2ccc(C3C(C)=C(C(C)C)c4ccccc43)c(-c3ccccc3)c2C1C(C)C
InChIInChI=1S/C32H34/c1-19(2)28-21(5)18-24-16-17-27(31(32(24)28)23-12-8-7-9-13-23)30-22(6)29(20(3)4)25-14-10-11-15-26(25)30/h7-20,28,30H,1-6H3
InChIKeyXQGKALUYTCWBRW-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-methyl-1,2-di(propan-2-yl)-1H-indene
CID 57188344
2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene
CID 11069712
1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
CID 140629889
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
3-methyl-4-phenyl-2,4-dihydroindeno[1,2-c]pyrazole
CID 4616940
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712192
methyl-(2-methyl-7-phenyl-1H-inden-1-yl)-(2-methyl-7-phenyl-3H-inden-1-yl)-phenylsilane
CID 54094543
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene?
The IUPAC name of 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene (CID 91111447) is 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene.
What is the SMILES notation for 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene?
The canonical SMILES for 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene is CC1=Cc2ccc(C3C(C)=C(C(C)C)c4ccccc43)c(-c3ccccc3)c2C1C(C)C.
What is the InChIKey of 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene?
The InChIKey is XQGKALUYTCWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-19(2)28-21(5)18-24-16-17-27(31(32(24)28)23-12-8-7-9-13-23)30-22(6)29(20(3)4)25-14-10-11-15-26(25)30/h7-20,28,30H,1-6H3.
What are the key properties of 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene?
2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene has a molecular weight of 418.62 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3-propan-2-yl-1H-inden-1-yl)-7-phenyl-1-propan-2-yl-1H-indene is sourced from PubChem (CID 91111447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).