8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene

C32H32 — CID 144670854

IUPAC8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene
SMILESCC(C)c1ccccc1-c1cccc(C2c3ccc4ccccc4c3C=CC(C)C2C)c1
InChIInChI=1S/C32H32/c1-21(2)27-13-7-8-15-29(27)25-11-9-12-26(20-25)32-23(4)22(3)16-18-30-28-14-6-5-10-24(28)17-19-31(30)32/h5-23,32H,1-4H3
InChIKeyHPDPCNXWZSBULJ-UHFFFAOYSA-N
MW416.61 g/mol
LogP9.06
Rot. Bonds3

About 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene

8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene (PubChem CID 144670854) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene.

Molecular Properties

Compound Name8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene
PubChem CID144670854
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene
SMILESCC(C)c1ccccc1-c1cccc(C2c3ccc4ccccc4c3C=CC(C)C2C)c1
InChIInChI=1S/C32H32/c1-21(2)27-13-7-8-15-29(27)25-11-9-12-26(20-25)32-23(4)22(3)16-18-30-28-14-6-5-10-24(28)17-19-31(30)32/h5-23,32H,1-4H3
InChIKeyHPDPCNXWZSBULJ-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene?
The IUPAC name of 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene (CID 144670854) is 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene.
What is the SMILES notation for 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene?
The canonical SMILES for 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene is CC(C)c1ccccc1-c1cccc(C2c3ccc4ccccc4c3C=CC(C)C2C)c1.
What is the InChIKey of 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene?
The InChIKey is HPDPCNXWZSBULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-21(2)27-13-7-8-15-29(27)25-11-9-12-26(20-25)32-23(4)22(3)16-18-30-28-14-6-5-10-24(28)17-19-31(30)32/h5-23,32H,1-4H3.
What are the key properties of 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene?
8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene has a molecular weight of 416.61 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-7-[3-(2-propan-2-ylphenyl)phenyl]-8,9-dihydro-7H-cyclohepta[a]naphthalene is sourced from PubChem (CID 144670854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).