3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine

C43H31N — CID 88554561

IUPAC3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
SMILESCCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6cccnc6)cc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C43H31N/c1-2-29-13-15-33(16-14-29)42-38-9-3-5-11-40(38)43(41-12-6-4-10-39(41)42)35-24-22-32-21-23-34(26-37(32)27-35)30-17-19-31(20-18-30)36-8-7-25-44-28-36/h3-28H,2H2,1H3
InChIKeyYBIALWVKJXMAGX-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.77
Rot. Bonds5

About 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine

3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine (PubChem CID 88554561) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
PubChem CID88554561
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
SMILESCCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6cccnc6)cc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C43H31N/c1-2-29-13-15-33(16-14-29)42-38-9-3-5-11-40(38)43(41-12-6-4-10-39(41)42)35-24-22-32-21-23-34(26-37(32)27-35)30-17-19-31(20-18-30)36-8-7-25-44-28-36/h3-28H,2H2,1H3
InChIKeyYBIALWVKJXMAGX-UHFFFAOYSA-N
XLogP11.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine (CID 88554561) is 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine is CCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6cccnc6)cc5)cc4c3)c3ccccc23)cc1.
What is the InChIKey of 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The InChIKey is YBIALWVKJXMAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-2-29-13-15-33(16-14-29)42-38-9-3-5-11-40(38)43(41-12-6-4-10-39(41)42)35-24-22-32-21-23-34(26-37(32)27-35)30-17-19-31(20-18-30)36-8-7-25-44-28-36/h3-28H,2H2,1H3.
What are the key properties of 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine has a molecular weight of 561.73 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine is sourced from PubChem (CID 88554561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).