5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole

C33H23BrN5P — CID 155236843

IUPAC5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole
SMILESBrc1ccc2c(c1)N(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)P(c1ccccc1)N2c1ccccc1
InChIInChI=1S/C33H23BrN5P/c34-26-21-22-29-30(23-26)39(40(28-19-11-4-12-20-28)38(29)27-17-9-3-10-18-27)33-36-31(24-13-5-1-6-14-24)35-32(37-33)25-15-7-2-8-16-25/h1-23H
InChIKeyUFIBPKCLFYMHDC-UHFFFAOYSA-N
MW600.46 g/mol
LogP8.90
Rot. Bonds5

About 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole

5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole (PubChem CID 155236843) has the molecular formula C33H23BrN5P and a molecular weight of 600.46 g/mol. Its IUPAC name is 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole.

Molecular Properties

Compound Name5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole
PubChem CID155236843
Molecular FormulaC33H23BrN5P
Molecular Weight600.46 g/mol
Exact Mass599.09
IUPAC Name5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole
SMILESBrc1ccc2c(c1)N(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)P(c1ccccc1)N2c1ccccc1
InChIInChI=1S/C33H23BrN5P/c34-26-21-22-29-30(23-26)39(40(28-19-11-4-12-20-28)38(29)27-17-9-3-10-18-27)33-36-31(24-13-5-1-6-14-24)35-32(37-33)25-15-7-2-8-16-25/h1-23H
InChIKeyUFIBPKCLFYMHDC-UHFFFAOYSA-N
XLogP8.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.46
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(9,9-dimethylfluoren-1-yl)-2,3-diphenyl-1,3,2-benzodiazaphosphole
CID 155236903
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123621880
6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
CID 129221585
2-(4-bromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 163781503
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole?
The IUPAC name of 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole (CID 155236843) is 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole.
What is the SMILES notation for 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole?
The canonical SMILES for 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole is Brc1ccc2c(c1)N(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)P(c1ccccc1)N2c1ccccc1.
What is the InChIKey of 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole?
The InChIKey is UFIBPKCLFYMHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23BrN5P/c34-26-21-22-29-30(23-26)39(40(28-19-11-4-12-20-28)38(29)27-17-9-3-10-18-27)33-36-31(24-13-5-1-6-14-24)35-32(37-33)25-15-7-2-8-16-25/h1-23H.
What are the key properties of 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole?
5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole has a molecular weight of 600.46 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenyl-1,3,2-benzodiazaphosphole is sourced from PubChem (CID 155236843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).