10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide

C49H37N3O4P2 — CID 146634004

IUPAC10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide
SMILESCc1ccc2c(c1)P(=O)(c1ccc(-c3nc(-c4ccccc4)nc(-c4ccc(P5(=O)c6cc(C)ccc6Oc6ccc(C)cc65)cc4)n3)cc1)c1cc(C)ccc1O2
InChIInChI=1S/C49H37N3O4P2/c1-30-10-22-39-43(26-30)57(53,44-27-31(2)11-23-40(44)55-39)37-18-14-35(15-19-37)48-50-47(34-8-6-5-7-9-34)51-49(52-48)36-16-20-38(21-17-36)58(54)45-28-32(3)12-24-41(45)56-42-25-13-33(4)29-46(42)58/h5-29H,1-4H3
InChIKeyYOJYUAWMEWRMFX-UHFFFAOYSA-N
MW793.80 g/mol
LogP9.60
Rot. Bonds5

About 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide

10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide (PubChem CID 146634004) has the molecular formula C49H37N3O4P2 and a molecular weight of 793.80 g/mol. Its IUPAC name is 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide
PubChem CID146634004
Molecular FormulaC49H37N3O4P2
Molecular Weight793.80 g/mol
Exact Mass793.23
IUPAC Name10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide
SMILESCc1ccc2c(c1)P(=O)(c1ccc(-c3nc(-c4ccccc4)nc(-c4ccc(P5(=O)c6cc(C)ccc6Oc6ccc(C)cc65)cc4)n3)cc1)c1cc(C)ccc1O2
InChIInChI=1S/C49H37N3O4P2/c1-30-10-22-39-43(26-30)57(53,44-27-31(2)11-23-40(44)55-39)37-18-14-35(15-19-37)48-50-47(34-8-6-5-7-9-34)51-49(52-48)36-16-20-38(21-17-36)58(54)45-28-32(3)12-24-41(45)56-42-25-13-33(4)29-46(42)58/h5-29H,1-4H3
InChIKeyYOJYUAWMEWRMFX-UHFFFAOYSA-N
XLogP9.60
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.80
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-14-phenyl-21-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide
CID 146834324
10-phenyl-2-(6-pyridin-3-yl-2-pyridinyl)phenoxaphosphinine 10-oxide
CID 130355946
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
10-phenyl-2-(3-quinolin-8-ylphenyl)phenoxaphosphinine 10-oxide
CID 130355974
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylbenzo[b][1,4]benzothiaphosphinine 10-oxide
CID 153291853
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146666293
10-(4-isoquinolin-1-ylphenyl)-10-oxophenoxaphosphinine-2,8-dicarbonitrile
CID 146632948
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide?
The IUPAC name of 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide (CID 146634004) is 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide?
The canonical SMILES for 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide is Cc1ccc2c(c1)P(=O)(c1ccc(-c3nc(-c4ccccc4)nc(-c4ccc(P5(=O)c6cc(C)ccc6Oc6ccc(C)cc65)cc4)n3)cc1)c1cc(C)ccc1O2.
What is the InChIKey of 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide?
The InChIKey is YOJYUAWMEWRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3O4P2/c1-30-10-22-39-43(26-30)57(53,44-27-31(2)11-23-40(44)55-39)37-18-14-35(15-19-37)48-50-47(34-8-6-5-7-9-34)51-49(52-48)36-16-20-38(21-17-36)58(54)45-28-32(3)12-24-41(45)56-42-25-13-33(4)29-46(42)58/h5-29H,1-4H3.
What are the key properties of 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide?
10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide has a molecular weight of 793.80 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[4-(2,8-dimethyl-10-oxophenoxaphosphinin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,8-dimethylphenoxaphosphinine 10-oxide is sourced from PubChem (CID 146634004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).