4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene

C30H34 — CID 59537041

IUPAC4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C30H34/c1-20-18-27-25(21-8-12-23(13-9-21)29(2,3)4)16-17-26(28(27)19-20)22-10-14-24(15-11-22)30(5,6)7/h8-18H,19H2,1-7H3
InChIKeyAGIHSAABFKDLJO-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.57
Rot. Bonds2

About 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene

4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene (PubChem CID 59537041) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
PubChem CID59537041
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1
InChIInChI=1S/C30H34/c1-20-18-27-25(21-8-12-23(13-9-21)29(2,3)4)16-17-26(28(27)19-20)22-10-14-24(15-11-22)30(5,6)7/h8-18H,19H2,1-7H3
InChIKeyAGIHSAABFKDLJO-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
p-Terphenyl
CID 7115
5-Methylchrysene
CID 19427
Cyclopenta(cd)pyrene
CID 33743
O-Terphenyl
CID 6766
2,6-Diisopropylnaphthalene
CID 32241
9,10-Dimethylanthracene
CID 13076
1-Methylphenanthrene
CID 13257
Retene
CID 10222
8-Methylbenz(a)anthracene
CID 16933

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene?
The IUPAC name of 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene (CID 59537041) is 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene?
The canonical SMILES for 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1.
What is the InChIKey of 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene?
The InChIKey is AGIHSAABFKDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-20-18-27-25(21-8-12-23(13-9-21)29(2,3)4)16-17-26(28(27)19-20)22-10-14-24(15-11-22)30(5,6)7/h8-18H,19H2,1-7H3.
What are the key properties of 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene?
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene has a molecular weight of 394.60 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 59537041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).