4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine

C51H33N — CID 89025356

IUPAC4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H33N/c1-3-13-34(14-4-1)39-27-28-46-47(33-39)51(35-15-5-2-6-16-35)45-22-12-11-21-44(45)49(46)37-25-23-36(24-26-37)48-40-17-7-9-19-42(40)50(38-29-31-52-32-30-38)43-20-10-8-18-41(43)48/h1-33H
InChIKeyUBFQHGZHJQIEKJ-UHFFFAOYSA-N
MW659.83 g/mol
LogP14.03
Rot. Bonds5

About 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine

4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine (PubChem CID 89025356) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
PubChem CID89025356
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC Name4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H33N/c1-3-13-34(14-4-1)39-27-28-46-47(33-39)51(35-15-5-2-6-16-35)45-22-12-11-21-44(45)49(46)37-25-23-36(24-26-37)48-40-17-7-9-19-42(40)50(38-29-31-52-32-30-38)43-20-10-8-18-41(43)48/h1-33H
InChIKeyUBFQHGZHJQIEKJ-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

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
9-[10-(3,10-diphenyl-6-pyridin-4-ylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377426
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-4-ylphenyl)benzotriazole
CID 90347120
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine (CID 89025356) is 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine is c1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
The InChIKey is UBFQHGZHJQIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-3-13-34(14-4-1)39-27-28-46-47(33-39)51(35-15-5-2-6-16-35)45-22-12-11-21-44(45)49(46)37-25-23-36(24-26-37)48-40-17-7-9-19-42(40)50(38-29-31-52-32-30-38)43-20-10-8-18-41(43)48/h1-33H.
What are the key properties of 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine?
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine 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 4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 89025356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).