1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene

C67H76 — CID 158208746

About 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene

1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene (PubChem CID 158208746) has the molecular formula C67H76 and a molecular weight of 881.35 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

• Compound Name: 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene
• PubChem CID: 158208746
• Molecular Formula: C67H76
• Molecular Weight: 881.35 g/mol
• Exact Mass: 880.59
• IUPAC Name: 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene
• SMILES: CC(C)C1=CCC=C1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C1=CC=CC1
• InChI: InChI=1S/3C15H16.C14H16.C8H12/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)13-9-5-6-10-14(13)12-7-3-4-8-12;1-7(2)8-5-3-4-6-8/h3*3-12H,1-2H3;3-7,9-11H,8H2,1-2H3;3,5-7H,4H2,1-2H3
• InChIKey: GBUQJHFWETVNPT-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.35
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene?

The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene (CID 158208746) is 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene.

What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene?

The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=CCC=C1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C1=CC=CC1.

What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene?

The InChIKey is GBUQJHFWETVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H16.C14H16.C8H12/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)13-9-5-6-10-14(13)12-7-3-4-8-12;1-7(2)8-5-3-4-6-8/h3*3-12H,1-2H3;3-7,9-11H,8H2,1-2H3;3,5-7H,4H2,1-2H3.

What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene?

1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 881.35 g/mol, XLogP of 20.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopenta-1,3-dien-1-yl-2-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);2-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 158208746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).