2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine

C51H33N — CID 91376653

IUPAC2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5cccc6ccccc56)c4c3)c2)cc1
InChIInChI=1S/C51H33N/c1-3-14-34(15-4-1)41-32-48(37-18-5-2-6-19-37)52-49(33-41)39-28-29-46-47(31-39)51(43-25-13-21-36-17-9-10-22-42(36)43)45-24-12-11-23-44(45)50(46)40-27-26-35-16-7-8-20-38(35)30-40/h1-33H
InChIKeyOHTGOHGGQCIRHU-UHFFFAOYSA-N
MW659.83 g/mol
LogP14.03
Rot. Bonds5

About 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine

2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine (PubChem CID 91376653) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
PubChem CID91376653
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC Name2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5cccc6ccccc56)c4c3)c2)cc1
InChIInChI=1S/C51H33N/c1-3-14-34(15-4-1)41-32-48(37-18-5-2-6-19-37)52-49(33-41)39-28-29-46-47(31-39)51(43-25-13-21-36-17-9-10-22-42(36)43)45-24-12-11-23-44(45)50(46)40-27-26-35-16-7-8-20-38(35)30-40/h1-33H
InChIKeyOHTGOHGGQCIRHU-UHFFFAOYSA-N
XLogP14.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 514.03
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

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
2-[4-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233412
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233354
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine?
The IUPAC name of 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine (CID 91376653) is 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5cccc6ccccc56)c4c3)c2)cc1.
What is the InChIKey of 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine?
The InChIKey is OHTGOHGGQCIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-3-14-34(15-4-1)41-32-48(37-18-5-2-6-19-37)52-49(33-41)39-28-29-46-47(31-39)51(43-25-13-21-36-17-9-10-22-42(36)43)45-24-12-11-23-44(45)50(46)40-27-26-35-16-7-8-20-38(35)30-40/h1-33H.
What are the key properties of 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine?
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine has a molecular weight of 659.83 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine is sourced from PubChem (CID 91376653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).