1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene

C22H24 — CID 158336638

IUPAC1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
SMILESCC1=C(C)C(C)(c2ccccc2-c2ccccc2)C(C)=C1C
InChIInChI=1S/C22H24/c1-15-16(2)18(4)22(5,17(15)3)21-14-10-9-13-20(21)19-11-7-6-8-12-19/h6-14H,1-5H3
InChIKeyQTPDJSNGJJYCST-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.30
Rot. Bonds2

About 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene

1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene (PubChem CID 158336638) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
PubChem CID158336638
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
SMILESCC1=C(C)C(C)(c2ccccc2-c2ccccc2)C(C)=C1C
InChIInChI=1S/C22H24/c1-15-16(2)18(4)22(5,17(15)3)21-14-10-9-13-20(21)19-11-7-6-8-12-19/h6-14H,1-5H3
InChIKeyQTPDJSNGJJYCST-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene?
The IUPAC name of 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene (CID 158336638) is 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene.
What is the SMILES notation for 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene?
The canonical SMILES for 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene is CC1=C(C)C(C)(c2ccccc2-c2ccccc2)C(C)=C1C.
What is the InChIKey of 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene?
The InChIKey is QTPDJSNGJJYCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-15-16(2)18(4)22(5,17(15)3)21-14-10-9-13-20(21)19-11-7-6-8-12-19/h6-14H,1-5H3.
What are the key properties of 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene?
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene has a molecular weight of 288.43 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene is sourced from PubChem (CID 158336638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).