2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene

C34H42 — CID 58246070

IUPAC2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC(C)=CC1C(C)(C)C
InChIInChI=1S/C34H42/c1-23-16-32(33(17-23)34(3,4)5)24(2)18-28-12-9-13-31(28)30-21-27-15-14-26(20-29(27)22-30)19-25-10-7-6-8-11-25/h12-17,20,22,25,33H,2,6-11,18-19,21H2,1,3-5H3
InChIKeyLMJJBPHIFJQUKE-UHFFFAOYSA-N
MW450.71 g/mol
LogP9.50
Rot. Bonds6

About 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene

2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene (PubChem CID 58246070) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
PubChem CID58246070
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC(C)=CC1C(C)(C)C
InChIInChI=1S/C34H42/c1-23-16-32(33(17-23)34(3,4)5)24(2)18-28-12-9-13-31(28)30-21-27-15-14-26(20-29(27)22-30)19-25-10-7-6-8-11-25/h12-17,20,22,25,33H,2,6-11,18-19,21H2,1,3-5H3
InChIKeyLMJJBPHIFJQUKE-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene with MolForge

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Related Compounds

2-[5-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245998
2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245963
5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58245893
4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
CID 58246120
2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246104
2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246100
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934706
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The IUPAC name of 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene (CID 58246070) is 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)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-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The canonical SMILES for 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CC(C)=CC1C(C)(C)C.
What is the InChIKey of 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
The InChIKey is LMJJBPHIFJQUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42/c1-23-16-32(33(17-23)34(3,4)5)24(2)18-28-12-9-13-31(28)30-21-27-15-14-26(20-29(27)22-30)19-25-10-7-6-8-11-25/h12-17,20,22,25,33H,2,6-11,18-19,21H2,1,3-5H3.
What are the key properties of 2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene?
2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene has a molecular weight of 450.71 g/mol, XLogP of 9.50, 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-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene is sourced from PubChem (CID 58246070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).