3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine

C64H45N2OP — CID 142477660

IUPAC3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine
SMILESCP(C)(=O)c1cccc(-c2ccc3c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c3c2)c1
InChIInChI=1S/C64H45N2OP/c1-68(2,67)50-15-9-12-46(38-50)47-30-31-61-62(39-47)64(45-28-24-43(25-29-45)52-33-35-54(49-14-11-37-66-41-49)58-19-6-4-17-56(52)58)60-21-8-7-20-59(60)63(61)44-26-22-42(23-27-44)51-32-34-53(48-13-10-36-65-40-48)57-18-5-3-16-55(51)57/h3-41H,1-2H3
InChIKeyAFELFKBKAZXTPU-UHFFFAOYSA-N
MW889.05 g/mol
LogP17.01
Rot. Bonds8

About 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine

3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine (PubChem CID 142477660) has the molecular formula C64H45N2OP and a molecular weight of 889.05 g/mol. Its IUPAC name is 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine
PubChem CID142477660
Molecular FormulaC64H45N2OP
Molecular Weight889.05 g/mol
Exact Mass888.33
IUPAC Name3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine
SMILESCP(C)(=O)c1cccc(-c2ccc3c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c3c2)c1
InChIInChI=1S/C64H45N2OP/c1-68(2,67)50-15-9-12-46(38-50)47-30-31-61-62(39-47)64(45-28-24-43(25-29-45)52-33-35-54(49-14-11-37-66-41-49)58-19-6-4-17-56(52)58)60-21-8-7-20-59(60)63(61)44-26-22-42(23-27-44)51-32-34-53(48-13-10-36-65-40-48)57-18-5-3-16-55(51)57/h3-41H,1-2H3
InChIKeyAFELFKBKAZXTPU-UHFFFAOYSA-N
XLogP17.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.05
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine with MolForge

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Related Compounds

2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
3-[8,13-bis(4-naphthalen-1-ylphenyl)benzo[a]tetracen-6-yl]pyridine
CID 89177965
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
CID 59195576
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
CID 90361785
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
CID 140947012

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine?
The IUPAC name of 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine (CID 142477660) is 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine.
What is the SMILES notation for 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine?
The canonical SMILES for 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine is CP(C)(=O)c1cccc(-c2ccc3c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5ccc(-c6cccnc6)c6ccccc56)cc4)c3c2)c1.
What is the InChIKey of 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine?
The InChIKey is AFELFKBKAZXTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N2OP/c1-68(2,67)50-15-9-12-46(38-50)47-30-31-61-62(39-47)64(45-28-24-43(25-29-45)52-33-35-54(49-14-11-37-66-41-49)58-19-6-4-17-56(52)58)60-21-8-7-20-59(60)63(61)44-26-22-42(23-27-44)51-32-34-53(48-13-10-36-65-40-48)57-18-5-3-16-55(51)57/h3-41H,1-2H3.
What are the key properties of 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine?
3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine has a molecular weight of 889.05 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine is sourced from PubChem (CID 142477660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).