2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine

C49H33N — CID 139394639

IUPAC2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccn6)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C49H33N/c1-3-15-34(16-4-1)36-28-29-41(46(33-36)35-17-5-2-6-18-35)37-19-13-21-39(31-37)48-42-23-7-9-25-44(42)49(45-26-10-8-24-43(45)48)40-22-14-20-38(32-40)47-27-11-12-30-50-47/h1-33H
InChIKeyKRESJENOKAYXNI-UHFFFAOYSA-N
MW635.81 g/mol
LogP13.39
Rot. Bonds6

About 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine

2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine (PubChem CID 139394639) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
PubChem CID139394639
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccn6)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C49H33N/c1-3-15-34(16-4-1)36-28-29-41(46(33-36)35-17-5-2-6-18-35)37-19-13-21-39(31-37)48-42-23-7-9-25-44(42)49(45-26-10-8-24-43(45)48)40-22-14-20-38(32-40)47-27-11-12-30-50-47/h1-33H
InChIKeyKRESJENOKAYXNI-UHFFFAOYSA-N
XLogP13.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 513.39
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-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
CID 146187345
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine (CID 139394639) is 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine is c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccn6)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine?
The InChIKey is KRESJENOKAYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-3-15-34(16-4-1)36-28-29-41(46(33-36)35-17-5-2-6-18-35)37-19-13-21-39(31-37)48-42-23-7-9-25-44(42)49(45-26-10-8-24-43(45)48)40-22-14-20-38(32-40)47-27-11-12-30-50-47/h1-33H.
What are the key properties of 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine?
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine has a molecular weight of 635.81 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 139394639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).