5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene

C32H34 — CID 58245893

IUPAC5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C(=C)c1ccccc1
InChIInChI=1S/C32H34/c1-23(24(2)27-12-7-4-8-13-27)18-29-14-9-15-32(29)31-21-28-17-16-26(20-30(28)22-31)19-25-10-5-3-6-11-25/h4,7-8,12-17,20,22,25H,1-3,5-6,9-11,18-19,21H2
InChIKeyDTFXGDGLCOWXQI-UHFFFAOYSA-N
MW418.62 g/mol
LogP8.67
Rot. Bonds7

About 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene

5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58245893) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58245893
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C(=C)c1ccccc1
InChIInChI=1S/C32H34/c1-23(24(2)27-12-7-4-8-13-27)18-29-14-9-15-32(29)31-21-28-17-16-26(20-30(28)22-31)19-25-10-5-3-6-11-25/h4,7-8,12-17,20,22,25H,1-3,5-6,9-11,18-19,21H2
InChIKeyDTFXGDGLCOWXQI-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58245893) is 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C(=C)c1ccccc1.
What is the InChIKey of 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is DTFXGDGLCOWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-23(24(2)27-12-7-4-8-13-27)18-29-14-9-15-32(29)31-21-28-17-16-26(20-30(28)22-31)19-25-10-5-3-6-11-25/h4,7-8,12-17,20,22,25H,1-3,5-6,9-11,18-19,21H2.
What are the key properties of 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene?
5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 418.62 g/mol, XLogP of 8.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58245893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).