2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene

C35H42 — CID 58245963

IUPAC2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C35H42/c1-24-14-17-32(35(3,4)5)23-34(24)25(2)18-29-12-9-13-33(29)31-21-28-16-15-27(20-30(28)22-31)19-26-10-7-6-8-11-26/h12-17,20,22-23,26H,2,6-11,18-19,21H2,1,3-5H3
InChIKeyPFFKTMOHMIFMFN-UHFFFAOYSA-N
MW462.72 g/mol
LogP9.71
Rot. Bonds6

About 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene

2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene (PubChem CID 58245963) has the molecular formula C35H42 and a molecular weight of 462.72 g/mol. Its IUPAC name is 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
PubChem CID58245963
Molecular FormulaC35H42
Molecular Weight462.72 g/mol
Exact Mass462.33
IUPAC Name2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C35H42/c1-24-14-17-32(35(3,4)5)23-34(24)25(2)18-29-12-9-13-33(29)31-21-28-16-15-27(20-30(28)22-31)19-26-10-7-6-8-11-26/h12-17,20,22-23,26H,2,6-11,18-19,21H2,1,3-5H3
InChIKeyPFFKTMOHMIFMFN-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The IUPAC name of 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene (CID 58245963) is 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene.
What is the SMILES notation for 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The canonical SMILES for 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The InChIKey is PFFKTMOHMIFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42/c1-24-14-17-32(35(3,4)5)23-34(24)25(2)18-29-12-9-13-33(29)31-21-28-16-15-27(20-30(28)22-31)19-26-10-7-6-8-11-26/h12-17,20,22-23,26H,2,6-11,18-19,21H2,1,3-5H3.
What are the key properties of 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene has a molecular weight of 462.72 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene is sourced from PubChem (CID 58245963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).