2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine

C48H30N4 — CID 89177926

IUPAC2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc3ccccc3c3cc4c(-c5cccc(-c6ccccn6)n5)c5ccccc5c(-c5cccc(-c6ccccn6)n5)c4cc23)cc1
InChIInChI=1S/C48H30N4/c1-2-14-31(15-3-1)36-28-32-16-4-5-17-33(32)37-29-39-40(30-38(36)37)48(46-25-13-23-44(52-46)42-21-9-11-27-50-42)35-19-7-6-18-34(35)47(39)45-24-12-22-43(51-45)41-20-8-10-26-49-41/h1-30H
InChIKeyOZRDJBSNHNSLMD-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine

2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine (PubChem CID 89177926) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine
PubChem CID89177926
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc3ccccc3c3cc4c(-c5cccc(-c6ccccn6)n5)c5ccccc5c(-c5cccc(-c6ccccn6)n5)c4cc23)cc1
InChIInChI=1S/C48H30N4/c1-2-14-31(15-3-1)36-28-32-16-4-5-17-33(32)37-29-39-40(30-38(36)37)48(46-25-13-23-44(52-46)42-21-9-11-27-50-42)35-19-7-6-18-34(35)47(39)45-24-12-22-43(51-45)41-20-8-10-26-49-41/h1-30H
InChIKeyOZRDJBSNHNSLMD-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine with MolForge

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Related Compounds

2-[6-phenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 89177944
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylbenzo[a]tetracen-13-yl]-4,6-diphenyl-1,3,5-triazine
CID 89177922
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104
2-benzo[a]anthracen-7-ylpyridine
CID 154825161
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685007
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120

Frequently Asked Questions

What is the IUPAC name of 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine (CID 89177926) is 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine is c1ccc(-c2cc3ccccc3c3cc4c(-c5cccc(-c6ccccn6)n5)c5ccccc5c(-c5cccc(-c6ccccn6)n5)c4cc23)cc1.
What is the InChIKey of 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine?
The InChIKey is OZRDJBSNHNSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-14-31(15-3-1)36-28-32-16-4-5-17-33(32)37-29-39-40(30-38(36)37)48(46-25-13-23-44(52-46)42-21-9-11-27-50-42)35-19-7-6-18-34(35)47(39)45-24-12-22-43(51-45)41-20-8-10-26-49-41/h1-30H.
What are the key properties of 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine?
2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 89177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).