3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide

C80H52N4O4P2 — CID 130390567

IUPAC3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7c(c6)Oc6cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)ccc6P7(=O)c6ccccc6)c5)n4)c3)ccc21
InChIInChI=1S/C80H52N4O4P2/c85-89(65-33-12-4-13-34-65)75-38-17-16-37-71(75)87-72-48-61(41-42-76(72)89)58-29-20-32-64(47-58)80-82-68(54-23-8-2-9-24-54)52-70(84-80)63-31-19-28-57(46-63)60-40-44-78-74(50-60)88-73-49-59(39-43-77(73)90(78,86)66-35-14-5-15-36-66)56-27-18-30-62(45-56)69-51-67(53-21-6-1-7-22-53)81-79(83-69)55-25-10-3-11-26-55/h1-52H
InChIKeyPJYBEMWCGBYHTA-UHFFFAOYSA-N
MW1195.27 g/mol
LogP17.76
Rot. Bonds11

About 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide

3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide (PubChem CID 130390567) has the molecular formula C80H52N4O4P2 and a molecular weight of 1195.27 g/mol. Its IUPAC name is 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide
PubChem CID130390567
Molecular FormulaC80H52N4O4P2
Molecular Weight1195.27 g/mol
Exact Mass1194.35
IUPAC Name3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2Oc2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7c(c6)Oc6cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)ccc6P7(=O)c6ccccc6)c5)n4)c3)ccc21
InChIInChI=1S/C80H52N4O4P2/c85-89(65-33-12-4-13-34-65)75-38-17-16-37-71(75)87-72-48-61(41-42-76(72)89)58-29-20-32-64(47-58)80-82-68(54-23-8-2-9-24-54)52-70(84-80)63-31-19-28-57(46-63)60-40-44-78-74(50-60)88-73-49-59(39-43-77(73)90(78,86)66-35-14-5-15-36-66)56-27-18-30-62(45-56)69-51-67(53-21-6-1-7-22-53)81-79(83-69)55-25-10-3-11-26-55/h1-52H
InChIKeyPJYBEMWCGBYHTA-UHFFFAOYSA-N
XLogP17.76
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.27
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide?
The IUPAC name of 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide (CID 130390567) is 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide.
What is the SMILES notation for 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide?
The canonical SMILES for 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide is O=P1(c2ccccc2)c2ccccc2Oc2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7c(c6)Oc6cc(-c8cccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)ccc6P7(=O)c6ccccc6)c5)n4)c3)ccc21.
What is the InChIKey of 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide?
The InChIKey is PJYBEMWCGBYHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N4O4P2/c85-89(65-33-12-4-13-34-65)75-38-17-16-37-71(75)87-72-48-61(41-42-76(72)89)58-29-20-32-64(47-58)80-82-68(54-23-8-2-9-24-54)52-70(84-80)63-31-19-28-57(46-63)60-40-44-78-74(50-60)88-73-49-59(39-43-77(73)90(78,86)66-35-14-5-15-36-66)56-27-18-30-62(45-56)69-51-67(53-21-6-1-7-22-53)81-79(83-69)55-25-10-3-11-26-55/h1-52H.
What are the key properties of 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide?
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide has a molecular weight of 1195.27 g/mol, XLogP of 17.76, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-[3-[2-[3-(10-oxo-10-phenylphenoxaphosphinin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-10-phenylphenoxaphosphinine 10-oxide is sourced from PubChem (CID 130390567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).