5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

C44H28 — CID 58037147

IUPAC5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)c1
InChIInChI=1S/C44H28/c1-2-10-31-24-34(18-16-29(31)8-1)32-11-7-12-33(25-32)35-19-20-37-27-38(22-21-36(37)26-35)43-28-39-23-17-30-9-3-4-13-40(30)44(39)42-15-6-5-14-41(42)43/h1-28H
InChIKeyBYKBIGSIFBBMOK-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (PubChem CID 58037147) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
PubChem CID58037147
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)c1
InChIInChI=1S/C44H28/c1-2-10-31-24-34(18-16-29(31)8-1)32-11-7-12-33(25-32)35-19-20-37-27-38(22-21-36(37)26-35)43-28-39-23-17-30-9-3-4-13-40(30)44(39)42-15-6-5-14-41(42)43/h1-28H
InChIKeyBYKBIGSIFBBMOK-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (CID 58037147) is 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)c1.
What is the InChIKey of 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
The InChIKey is BYKBIGSIFBBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-10-31-24-34(18-16-29(31)8-1)32-11-7-12-33(25-32)35-19-20-37-27-38(22-21-36(37)26-35)43-28-39-23-17-30-9-3-4-13-40(30)44(39)42-15-6-5-14-41(42)43/h1-28H.
What are the key properties of 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 58037147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).