1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene

C33H32 — CID 90755203

IUPAC1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(C(C)(C)C2=C(C)C=C3C2=Cc2ccccc2C3C)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C33H32/c1-19-15-27-21(3)25-13-9-7-11-23(25)17-29(27)31(19)33(5,6)32-20(2)16-28-22(4)26-14-10-8-12-24(26)18-30(28)32/h7-18,21-22H,1-6H3
InChIKeyVGZJSJLOPCONFY-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.93
Rot. Bonds2

About 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene

1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene (PubChem CID 90755203) has the molecular formula C33H32 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
PubChem CID90755203
Molecular FormulaC33H32
Molecular Weight428.62 g/mol
Exact Mass428.25
IUPAC Name1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
SMILESCC1=C(C(C)(C)C2=C(C)C=C3C2=Cc2ccccc2C3C)C2=Cc3ccccc3C(C)C2=C1
InChIInChI=1S/C33H32/c1-19-15-27-21(3)25-13-9-7-11-23(25)17-29(27)31(19)33(5,6)32-20(2)16-28-22(4)26-14-10-8-12-24(26)18-30(28)32/h7-18,21-22H,1-6H3
InChIKeyVGZJSJLOPCONFY-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The IUPAC name of 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene (CID 90755203) is 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene.
What is the SMILES notation for 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The canonical SMILES for 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene is CC1=C(C(C)(C)C2=C(C)C=C3C2=Cc2ccccc2C3C)C2=Cc3ccccc3C(C)C2=C1.
What is the InChIKey of 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
The InChIKey is VGZJSJLOPCONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32/c1-19-15-27-21(3)25-13-9-7-11-23(25)17-29(27)31(19)33(5,6)32-20(2)16-28-22(4)26-14-10-8-12-24(26)18-30(28)32/h7-18,21-22H,1-6H3.
What are the key properties of 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene?
1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene has a molecular weight of 428.62 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-4H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene is sourced from PubChem (CID 90755203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).