2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C59H40N3OP — CID 140901903

IUPAC2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C59H40N3OP/c63-64(55-23-11-19-47-15-7-9-21-53(47)55,56-24-12-20-48-16-8-10-22-54(48)56)52-39-37-46(38-40-52)44-27-25-43(26-28-44)45-31-35-51(36-32-45)59-61-57(49-17-5-2-6-18-49)60-58(62-59)50-33-29-42(30-34-50)41-13-3-1-4-14-41/h1-40H
InChIKeyAFWHWBYTJSJCHT-UHFFFAOYSA-N
MW837.96 g/mol
LogP13.82
Rot. Bonds9

About 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 140901903) has the molecular formula C59H40N3OP and a molecular weight of 837.96 g/mol. Its IUPAC name is 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID140901903
Molecular FormulaC59H40N3OP
Molecular Weight837.96 g/mol
Exact Mass837.29
IUPAC Name2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C59H40N3OP/c63-64(55-23-11-19-47-15-7-9-21-53(47)55,56-24-12-20-48-16-8-10-22-54(48)56)52-39-37-46(38-40-52)44-27-25-43(26-28-44)45-31-35-51(36-32-45)59-61-57(49-17-5-2-6-18-49)60-58(62-59)50-33-29-42(30-34-50)41-13-3-1-4-14-41/h1-40H
InChIKeyAFWHWBYTJSJCHT-UHFFFAOYSA-N
XLogP13.82
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.96
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 159396238
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
1-diphenylphosphorylnaphthalene
CID 11023927
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 140901903) is 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is O=P(c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is AFWHWBYTJSJCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N3OP/c63-64(55-23-11-19-47-15-7-9-21-53(47)55,56-24-12-20-48-16-8-10-22-54(48)56)52-39-37-46(38-40-52)44-27-25-43(26-28-44)45-31-35-51(36-32-45)59-61-57(49-17-5-2-6-18-49)60-58(62-59)50-33-29-42(30-34-50)41-13-3-1-4-14-41/h1-40H.
What are the key properties of 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 837.96 g/mol, XLogP of 13.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 140901903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).