2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C47H42N3OP — CID 176628725

IUPAC2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCP(C)(=O)c1cccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)CCCCC3)cc2)c1
InChIInChI=1S/C47H42N3OP/c1-52(2,51)43-21-13-19-39(33-43)35-22-26-41(27-23-35)47(30-10-5-11-31-47)42-28-24-37(25-29-42)45-48-44(36-16-8-4-9-17-36)49-46(50-45)40-20-12-18-38(32-40)34-14-6-3-7-15-34/h3-4,6-9,12-29,32-33H,5,10-11,30-31H2,1-2H3
InChIKeyDFJNFAVGYWIGNG-UHFFFAOYSA-N
MW695.85 g/mol
LogP11.70
Rot. Bonds8

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

2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 176628725) has the molecular formula C47H42N3OP and a molecular weight of 695.85 g/mol. Its IUPAC name is 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID176628725
Molecular FormulaC47H42N3OP
Molecular Weight695.85 g/mol
Exact Mass695.31
IUPAC Name2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCP(C)(=O)c1cccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)CCCCC3)cc2)c1
InChIInChI=1S/C47H42N3OP/c1-52(2,51)43-21-13-19-39(33-43)35-22-26-41(27-23-35)47(30-10-5-11-31-47)42-28-24-37(25-29-42)45-48-44(36-16-8-4-9-17-36)49-46(50-45)40-20-12-18-38(32-40)34-14-6-3-7-15-34/h3-4,6-9,12-29,32-33H,5,10-11,30-31H2,1-2H3
InChIKeyDFJNFAVGYWIGNG-UHFFFAOYSA-N
XLogP11.70
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.85
LogP ≤ 511.70
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-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 176628622
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176628692
2-[4-[1-[4-(4-diphenylphosphorylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176628365
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176628635
2-[4-[1-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 176628287
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 176628725) is 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CP(C)(=O)c1cccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)CCCCC3)cc2)c1.
What is the InChIKey of 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is DFJNFAVGYWIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N3OP/c1-52(2,51)43-21-13-19-39(33-43)35-22-26-41(27-23-35)47(30-10-5-11-31-47)42-28-24-37(25-29-42)45-48-44(36-16-8-4-9-17-36)49-46(50-45)40-20-12-18-38(32-40)34-14-6-3-7-15-34/h3-4,6-9,12-29,32-33H,5,10-11,30-31H2,1-2H3.
What are the key properties of 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 695.85 g/mol, XLogP of 11.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176628725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).