2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene

C42H32 — CID 142356048

IUPAC2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
SMILESCCc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C42H32/c1-2-30-17-24-41(42(25-30)37-23-20-33-15-9-10-16-36(33)26-37)35-21-18-34(19-22-35)40-28-38(31-11-5-3-6-12-31)27-39(29-40)32-13-7-4-8-14-32/h3-29H,2H2,1H3
InChIKeyGYTZRXZSKLSRIA-UHFFFAOYSA-N
MW536.72 g/mol
LogP11.74
Rot. Bonds6

About 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene

2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene (PubChem CID 142356048) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
PubChem CID142356048
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
SMILESCCc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C42H32/c1-2-30-17-24-41(42(25-30)37-23-20-33-15-9-10-16-36(33)26-37)35-21-18-34(19-22-35)40-28-38(31-11-5-3-6-12-31)27-39(29-40)32-13-7-4-8-14-32/h3-29H,2H2,1H3
InChIKeyGYTZRXZSKLSRIA-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene?
The IUPAC name of 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene (CID 142356048) is 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene.
What is the SMILES notation for 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene?
The canonical SMILES for 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene is CCc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene?
The InChIKey is GYTZRXZSKLSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32/c1-2-30-17-24-41(42(25-30)37-23-20-33-15-9-10-16-36(33)26-37)35-21-18-34(19-22-35)40-28-38(31-11-5-3-6-12-31)27-39(29-40)32-13-7-4-8-14-32/h3-29H,2H2,1H3.
What are the key properties of 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene?
2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene has a molecular weight of 536.72 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene is sourced from PubChem (CID 142356048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).