2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene

C30H32 — CID 87142380

IUPAC2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c3c2C=C(CC2CCCCC2)C3)cc1
InChIInChI=1S/C30H32/c1-21-8-12-25(13-9-21)27-16-17-28(26-14-10-22(2)11-15-26)30-20-24(19-29(27)30)18-23-6-4-3-5-7-23/h8-17,19,23H,3-7,18,20H2,1-2H3
InChIKeyTZRCRUDMPNHPMB-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.55
Rot. Bonds4

About 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene

2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene (PubChem CID 87142380) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
PubChem CID87142380
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c3c2C=C(CC2CCCCC2)C3)cc1
InChIInChI=1S/C30H32/c1-21-8-12-25(13-9-21)27-16-17-28(26-14-10-22(2)11-15-26)30-20-24(19-29(27)30)18-23-6-4-3-5-7-23/h8-17,19,23H,3-7,18,20H2,1-2H3
InChIKeyTZRCRUDMPNHPMB-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
CID 87142144
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
2-(cycloheptylmethyl)-4-(4-propylphenyl)-1H-indene
CID 87475663
4-(4-cyclohexylphenyl)-2-(cyclopentylmethyl)-1H-indene
CID 87472369
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
2-(2,2-dimethylpropyl)-4,7-diphenyl-1H-indene
CID 173016314
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene?
The IUPAC name of 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene (CID 87142380) is 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene.
What is the SMILES notation for 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene?
The canonical SMILES for 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3c2C=C(CC2CCCCC2)C3)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene?
The InChIKey is TZRCRUDMPNHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-21-8-12-25(13-9-21)27-16-17-28(26-14-10-22(2)11-15-26)30-20-24(19-29(27)30)18-23-6-4-3-5-7-23/h8-17,19,23H,3-7,18,20H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene?
2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene has a molecular weight of 392.59 g/mol, XLogP of 8.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4,7-bis(4-methylphenyl)-1H-indene is sourced from PubChem (CID 87142380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).