[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane

C58H39N4P — CID 163523054

IUPAC[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)nc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C58H39N4P/c1-6-17-41(18-7-1)50-27-16-28-52-54(50)51-38-35-46(39-53(51)59-55(52)42-19-8-2-9-20-42)40-29-31-44(32-30-40)57-60-56(43-21-10-3-11-22-43)61-58(62-57)45-33-36-49(37-34-45)63(47-23-12-4-13-24-47)48-25-14-5-15-26-48/h1-39H
InChIKeyDMMLVJKICJPSHX-UHFFFAOYSA-N
MW822.95 g/mol
LogP13.33
Rot. Bonds9

About [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane

[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane (PubChem CID 163523054) has the molecular formula C58H39N4P and a molecular weight of 822.95 g/mol. Its IUPAC name is [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
PubChem CID163523054
Molecular FormulaC58H39N4P
Molecular Weight822.95 g/mol
Exact Mass822.29
IUPAC Name[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)nc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C58H39N4P/c1-6-17-41(18-7-1)50-27-16-28-52-54(50)51-38-35-46(39-53(51)59-55(52)42-19-8-2-9-20-42)40-29-31-44(32-30-40)57-60-56(43-21-10-3-11-22-43)61-58(62-57)45-33-36-49(37-34-45)63(47-23-12-4-13-24-47)48-25-14-5-15-26-48/h1-39H
InChIKeyDMMLVJKICJPSHX-UHFFFAOYSA-N
XLogP13.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.95
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane 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

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
3-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549899
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-pyrrol-1-ium-3-ylphenanthridine
CID 153242000

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane (CID 163523054) is [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)nc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane?
The InChIKey is DMMLVJKICJPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N4P/c1-6-17-41(18-7-1)50-27-16-28-52-54(50)51-38-35-46(39-53(51)59-55(52)42-19-8-2-9-20-42)40-29-31-44(32-30-40)57-60-56(43-21-10-3-11-22-43)61-58(62-57)45-33-36-49(37-34-45)63(47-23-12-4-13-24-47)48-25-14-5-15-26-48/h1-39H.
What are the key properties of [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane?
[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane has a molecular weight of 822.95 g/mol, XLogP of 13.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 163523054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).