2-(2-methyl-3H-inden-4-yl)naphthalene

C40H32 — CID 158464529

IUPAC2-(2-methyl-3H-inden-4-yl)naphthalene
SMILESCC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1.CC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1
InChIInChI=1S/2C20H16/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18/h2*2-11,13H,12H2,1H3
InChIKeyHFOYQFVETBDJFR-UHFFFAOYSA-N
MW512.70 g/mol
LogP10.93
Rot. Bonds2

About 2-(2-methyl-3H-inden-4-yl)naphthalene

2-(2-methyl-3H-inden-4-yl)naphthalene (PubChem CID 158464529) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 2-(2-methyl-3H-inden-4-yl)naphthalene.

Molecular Properties

Compound Name2-(2-methyl-3H-inden-4-yl)naphthalene
PubChem CID158464529
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name2-(2-methyl-3H-inden-4-yl)naphthalene
SMILESCC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1.CC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1
InChIInChI=1S/2C20H16/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18/h2*2-11,13H,12H2,1H3
InChIKeyHFOYQFVETBDJFR-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-propan-2-yl-3H-inden-4-yl)naphthalene
CID 91423371
7-[3,5-di(propan-2-yl)phenyl]-2-methyl-1H-indene
CID 22676533
1-(2-methyl-1H-inden-5-yl)naphthalene
CID 54474031
2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
CID 175436495
CID 172736584
CID 172736584
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
2-(9H-fluoren-1-yl)anthracene
CID 151119003
2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalene;methanol
CID 174473349
5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene
CID 87823767
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-inden-4-yl)naphthalene?
The IUPAC name of 2-(2-methyl-3H-inden-4-yl)naphthalene (CID 158464529) is 2-(2-methyl-3H-inden-4-yl)naphthalene.
What is the SMILES notation for 2-(2-methyl-3H-inden-4-yl)naphthalene?
The canonical SMILES for 2-(2-methyl-3H-inden-4-yl)naphthalene is CC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1.CC1=Cc2cccc(-c3ccc4ccccc4c3)c2C1.
What is the InChIKey of 2-(2-methyl-3H-inden-4-yl)naphthalene?
The InChIKey is HFOYQFVETBDJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18/h2*2-11,13H,12H2,1H3.
What are the key properties of 2-(2-methyl-3H-inden-4-yl)naphthalene?
2-(2-methyl-3H-inden-4-yl)naphthalene has a molecular weight of 512.70 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-inden-4-yl)naphthalene is sourced from PubChem (CID 158464529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).