2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene

C27H26 — CID 173041009

IUPAC2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
SMILESCC1=Cc2ccccc2C1C(C)(C)C1=C(C)C=C2Cc3ccccc3C=C21
InChIInChI=1S/C27H26/c1-17-13-21-11-7-8-12-23(21)25(17)27(3,4)26-18(2)14-22-15-19-9-5-6-10-20(19)16-24(22)26/h5-14,16,25H,15H2,1-4H3
InChIKeyHNMGHDMGFRIABT-UHFFFAOYSA-N
MW350.50 g/mol
LogP7.11
Rot. Bonds2

About 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene

2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene (PubChem CID 173041009) has the molecular formula C27H26 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
PubChem CID173041009
Molecular FormulaC27H26
Molecular Weight350.50 g/mol
Exact Mass350.20
IUPAC Name2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene
SMILESCC1=Cc2ccccc2C1C(C)(C)C1=C(C)C=C2Cc3ccccc3C=C21
InChIInChI=1S/C27H26/c1-17-13-21-11-7-8-12-23(21)25(17)27(3,4)26-18(2)14-22-15-19-9-5-6-10-20(19)16-24(22)26/h5-14,16,25H,15H2,1-4H3
InChIKeyHNMGHDMGFRIABT-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene?
The IUPAC name of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene (CID 173041009) is 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene.
What is the SMILES notation for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene?
The canonical SMILES for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene is CC1=Cc2ccccc2C1C(C)(C)C1=C(C)C=C2Cc3ccccc3C=C21.
What is the InChIKey of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene?
The InChIKey is HNMGHDMGFRIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-17-13-21-11-7-8-12-23(21)25(17)27(3,4)26-18(2)14-22-15-19-9-5-6-10-20(19)16-24(22)26/h5-14,16,25H,15H2,1-4H3.
What are the key properties of 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene?
2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene has a molecular weight of 350.50 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-9H-cyclopenta[b]naphthalene is sourced from PubChem (CID 173041009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).