2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine

C47H31N — CID 88914352

IUPAC2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)n5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C47H31N/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)35-28-30-37(31-29-35)46-40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)45-23-11-22-44(48-45)39-21-10-15-36-14-4-5-16-38(36)39/h1-31H
InChIKeyHBEKJPOJGNPBLB-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.88
Rot. Bonds5

About 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine

2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine (PubChem CID 88914352) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
PubChem CID88914352
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)n5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C47H31N/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)35-28-30-37(31-29-35)46-40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)45-23-11-22-44(48-45)39-21-10-15-36-14-4-5-16-38(36)39/h1-31H
InChIKeyHBEKJPOJGNPBLB-UHFFFAOYSA-N
XLogP12.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.88
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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Related Compounds

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenanthren-2-ylpyridine;9-naphthalen-2-yl-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenanthren-2-ylpyridine;9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene
CID 159524474
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine (CID 88914352) is 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)n5)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine?
The InChIKey is HBEKJPOJGNPBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)35-28-30-37(31-29-35)46-40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)45-23-11-22-44(48-45)39-21-10-15-36-14-4-5-16-38(36)39/h1-31H.
What are the key properties of 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine?
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine has a molecular weight of 609.77 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 88914352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).