[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane

C39H28N3PS — CID 140901933

IUPAC[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H28N3PS/c44-43(34-17-9-3-10-18-34,35-19-11-4-12-20-35)36-27-25-30(26-28-36)29-21-23-33(24-22-29)39-41-37(31-13-5-1-6-14-31)40-38(42-39)32-15-7-2-8-16-32/h1-28H
InChIKeyDKYYBIUSEYWPSP-UHFFFAOYSA-N
MW601.72 g/mol
LogP8.30
Rot. Bonds7

About [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane

[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 140901933) has the molecular formula C39H28N3PS and a molecular weight of 601.72 g/mol. Its IUPAC name is [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID140901933
Molecular FormulaC39H28N3PS
Molecular Weight601.72 g/mol
Exact Mass601.17
IUPAC Name[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H28N3PS/c44-43(34-17-9-3-10-18-34,35-19-11-4-12-20-35)36-27-25-30(26-28-36)29-21-23-33(24-22-29)39-41-37(31-13-5-1-6-14-31)40-38(42-39)32-15-7-2-8-16-32/h1-28H
InChIKeyDKYYBIUSEYWPSP-UHFFFAOYSA-N
XLogP8.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.72
LogP ≤ 58.30
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-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 140901933) is [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is DKYYBIUSEYWPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N3PS/c44-43(34-17-9-3-10-18-34,35-19-11-4-12-20-35)36-27-25-30(26-28-36)29-21-23-33(24-22-29)39-41-37(31-13-5-1-6-14-31)40-38(42-39)32-15-7-2-8-16-32/h1-28H.
What are the key properties of [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 601.72 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 140901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).