bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene

C168H276 — CID 157351867

About bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene

bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene (PubChem CID 157351867) has the molecular formula C168H276 and a molecular weight of 2296.06 g/mol. Its IUPAC name is bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 157351867
• Molecular Formula: C168H276
• Molecular Weight: 2296.06 g/mol
• Exact Mass: 2294.16
• IUPAC Name: bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
• SMILES: C1=CC2=CC=CC2C=C1.C1=CC2=CC=CC2C=C1.C1=CCC=C1.C1=CCCC1.C1=Cc2ccccc2C1.C1CCCC1.C1CCCCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2ccccc2c1.c1ccccc1
• InChI: InChI=1S/C11H14.C10H12.C10H8.2C9H10.3C9H8.C6H12.C6H6.C5H10.C5H8.C5H6.13C5H12/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;13*1-5(2,3)4/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;1-8H;2*1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-8H;1-6H2;1-6H;1-5H2;1-2H,3-5H2;1-4H,5H2;13*1-4H3
• InChIKey: BHPYUXUBOCPLHR-UHFFFAOYSA-N
• XLogP: 55.30
• TPSA: 0.00 Ų
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2296.06
LogP ≤ 5	55.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene (CID 157351867) is bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene is C1=CC2=CC=CC2C=C1.C1=CC2=CC=CC2C=C1.C1=CCC=C1.C1=CCCC1.C1=Cc2ccccc2C1.C1CCCC1.C1CCCCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2ccccc2c1.c1ccccc1.

What is the InChIKey of bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?

The InChIKey is BHPYUXUBOCPLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H12.C10H8.2C9H10.3C9H8.C6H12.C6H6.C5H10.C5H8.C5H6.13C5H12/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;5*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;13*1-5(2,3)4/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;1-8H;2*1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-8H;1-6H2;1-6H;1-5H2;1-2H,3-5H2;1-4H,5H2;13*1-4H3.

What are the key properties of bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene?

bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 2296.06 g/mol, XLogP of 55.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 157351867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).