[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane

C45H32N3OP — CID 134569765

IUPAC[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C45H32N3OP/c1-5-13-35(14-6-1)43-46-44(36-15-7-2-8-16-36)48-45(47-43)37-23-29-39(30-24-37)49-38-27-21-33(22-28-38)34-25-31-42(32-26-34)50(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H
InChIKeyUNYHSXDCQJQIBT-UHFFFAOYSA-N
MW661.75 g/mol
LogP10.09
Rot. Bonds9

About [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane

[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane (PubChem CID 134569765) has the molecular formula C45H32N3OP and a molecular weight of 661.75 g/mol. Its IUPAC name is [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane
PubChem CID134569765
Molecular FormulaC45H32N3OP
Molecular Weight661.75 g/mol
Exact Mass661.23
IUPAC Name[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C45H32N3OP/c1-5-13-35(14-6-1)43-46-44(36-15-7-2-8-16-36)48-45(47-43)37-23-29-39(30-24-37)49-38-27-21-33(22-28-38)34-25-31-42(32-26-34)50(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H
InChIKeyUNYHSXDCQJQIBT-UHFFFAOYSA-N
XLogP10.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.75
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane (CID 134569765) is [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc(P(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane?
The InChIKey is UNYHSXDCQJQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N3OP/c1-5-13-35(14-6-1)43-46-44(36-15-7-2-8-16-36)48-45(47-43)37-23-29-39(30-24-37)49-38-27-21-33(22-28-38)34-25-31-42(32-26-34)50(40-17-9-3-10-18-40)41-19-11-4-12-20-41/h1-32H.
What are the key properties of [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane?
[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane has a molecular weight of 661.75 g/mol, XLogP of 10.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 134569765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).