ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene

C38H38 — CID 91083814

IUPACethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
SMILESCC.CC.Cc1ccccc1-c1ccc2ccccc2c1-c1c(-c2ccccc2C)ccc2ccccc12
InChIInChI=1S/C34H26.2C2H6/c1-23-11-3-7-15-27(23)31-21-19-25-13-5-9-17-29(25)33(31)34-30-18-10-6-14-26(30)20-22-32(34)28-16-8-4-12-24(28)2;2*1-2/h3-22H,1-2H3;2*1-2H3
InChIKeyUDHHUMAPPIXEAM-UHFFFAOYSA-N
MW494.72 g/mol
LogP11.66
Rot. Bonds3

About ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene

ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 91083814) has the molecular formula C38H38 and a molecular weight of 494.72 g/mol. Its IUPAC name is ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Nameethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
PubChem CID91083814
Molecular FormulaC38H38
Molecular Weight494.72 g/mol
Exact Mass494.30
IUPAC Nameethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
SMILESCC.CC.Cc1ccccc1-c1ccc2ccccc2c1-c1c(-c2ccccc2C)ccc2ccccc12
InChIInChI=1S/C34H26.2C2H6/c1-23-11-3-7-15-27(23)31-21-19-25-13-5-9-17-29(25)33(31)34-30-18-10-6-14-26(30)20-22-32(34)28-16-8-4-12-24(28)2;2*1-2/h3-22H,1-2H3;2*1-2H3
InChIKeyUDHHUMAPPIXEAM-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene (CID 91083814) is ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene is CC.CC.Cc1ccccc1-c1ccc2ccccc2c1-c1c(-c2ccccc2C)ccc2ccccc12.
What is the InChIKey of ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is UDHHUMAPPIXEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26.2C2H6/c1-23-11-3-7-15-27(23)31-21-19-25-13-5-9-17-29(25)33(31)34-30-18-10-6-14-26(30)20-22-32(34)28-16-8-4-12-24(28)2;2*1-2/h3-22H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene?
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 494.72 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 91083814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).