2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane

C35H36 — CID 161247192

IUPAC2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane
SMILESCC.CC.c1ccc(C2Cc3ccccc3C2(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H24.2C2H6/c1-3-12-24(13-4-1)30-22-26-15-9-10-18-29(26)31(30,27-16-5-2-6-17-27)28-20-19-23-11-7-8-14-25(23)21-28;2*1-2/h1-21,30H,22H2;2*1-2H3
InChIKeyVAUHOUJEWSUKSR-UHFFFAOYSA-N
MW456.67 g/mol
LogP9.57
Rot. Bonds3

About 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane

2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane (PubChem CID 161247192) has the molecular formula C35H36 and a molecular weight of 456.67 g/mol. Its IUPAC name is 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane.

Molecular Properties

Compound Name2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane
PubChem CID161247192
Molecular FormulaC35H36
Molecular Weight456.67 g/mol
Exact Mass456.28
IUPAC Name2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane
SMILESCC.CC.c1ccc(C2Cc3ccccc3C2(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H24.2C2H6/c1-3-12-24(13-4-1)30-22-26-15-9-10-18-29(26)31(30,27-16-5-2-6-17-27)28-20-19-23-11-7-8-14-25(23)21-28;2*1-2/h1-21,30H,22H2;2*1-2H3
InChIKeyVAUHOUJEWSUKSR-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(1-methylcyclopropyl)naphthalene
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CID 175100911
4-methoxy-2-methyl-4-naphthalen-2-yl-1,3-dihydroisoquinoline
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(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene
CID 102351980
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
1-naphthalen-2-ylcyclopropan-1-amine
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2,2,3-triphenylcyclopentan-1-one
CID 90111687

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane?
The IUPAC name of 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane (CID 161247192) is 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane.
What is the SMILES notation for 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane?
The canonical SMILES for 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane is CC.CC.c1ccc(C2Cc3ccccc3C2(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane?
The InChIKey is VAUHOUJEWSUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24.2C2H6/c1-3-12-24(13-4-1)30-22-26-15-9-10-18-29(26)31(30,27-16-5-2-6-17-27)28-20-19-23-11-7-8-14-25(23)21-28;2*1-2/h1-21,30H,22H2;2*1-2H3.
What are the key properties of 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane?
2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane has a molecular weight of 456.67 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenyl-2,3-dihydroinden-1-yl)naphthalene;ethane is sourced from PubChem (CID 161247192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).