3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide

C28H20N3OP — CID 176638517

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C28H20N3OP/c1-33(32)24-15-9-8-14-22(24)23-17-16-21(18-25(23)33)28-30-26(19-10-4-2-5-11-19)29-27(31-28)20-12-6-3-7-13-20/h2-18H,1H3
InChIKeySJVKWPYGTZRNHU-UHFFFAOYSA-N
MW445.46 g/mol
LogP5.80
Rot. Bonds3

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide (PubChem CID 176638517) has the molecular formula C28H20N3OP and a molecular weight of 445.46 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
PubChem CID176638517
Molecular FormulaC28H20N3OP
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C28H20N3OP/c1-33(32)24-15-9-8-14-22(24)23-17-16-21(18-25(23)33)28-30-26(19-10-4-2-5-11-19)29-27(31-28)20-12-6-3-7-13-20/h2-18H,1H3
InChIKeySJVKWPYGTZRNHU-UHFFFAOYSA-N
XLogP5.80
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.46
LogP ≤ 55.80
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

5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638734
5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638608
1-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638574
5-methyl-2-[10-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]anthracen-9-yl]benzo[b]phosphindole 5-oxide
CID 176638739
5-methyl-1-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638732
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide (CID 176638517) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide?
The InChIKey is SJVKWPYGTZRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N3OP/c1-33(32)24-15-9-8-14-22(24)23-17-16-21(18-25(23)33)28-30-26(19-10-4-2-5-11-19)29-27(31-28)20-12-6-3-7-13-20/h2-18H,1H3.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide has a molecular weight of 445.46 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).