1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene

C27H30 — CID 178036929

IUPAC1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene
SMILESCC(C)CC1(c2ccccc2)CC(C)(C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C27H30/c1-20(2)18-27(23-13-9-6-10-14-23)19-26(3,4)24-16-15-22(17-25(24)27)21-11-7-5-8-12-21/h5-17,20H,18-19H2,1-4H3
InChIKeyWVGVGLAEDIFUKD-UHFFFAOYSA-N
MW354.54 g/mol
LogP7.37
Rot. Bonds4

About 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene

1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene (PubChem CID 178036929) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene
PubChem CID178036929
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene
SMILESCC(C)CC1(c2ccccc2)CC(C)(C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C27H30/c1-20(2)18-27(23-13-9-6-10-14-23)19-26(3,4)24-16-15-22(17-25(24)27)21-11-7-5-8-12-21/h5-17,20H,18-19H2,1-4H3
InChIKeyWVGVGLAEDIFUKD-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
CID 58185915
9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene
CID 102073577
N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 167260382
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene
CID 140843490
2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 171748924
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one
CID 102572936
10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
CID 102159942
9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole
CID 146434172
5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile
CID 130380949

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene?
The IUPAC name of 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene (CID 178036929) is 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene.
What is the SMILES notation for 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene?
The canonical SMILES for 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene is CC(C)CC1(c2ccccc2)CC(C)(C)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene?
The InChIKey is WVGVGLAEDIFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30/c1-20(2)18-27(23-13-9-6-10-14-23)19-26(3,4)24-16-15-22(17-25(24)27)21-11-7-5-8-12-21/h5-17,20H,18-19H2,1-4H3.
What are the key properties of 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene?
1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene has a molecular weight of 354.54 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methylpropyl)-3,5-diphenyl-2H-indene is sourced from PubChem (CID 178036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).