3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine

C53H35N3 — CID 146548907

IUPAC3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
SMILESc1ccc(-c2cccc(-c3cccc4c(-c5ccccc5)nc5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c34)c2)cc1
InChIInChI=1S/C53H35N3/c1-5-15-36(16-6-1)42-23-13-24-44(33-42)45-25-14-26-47-51(45)46-32-31-43(34-50(46)54-52(47)40-19-9-3-10-20-40)37-27-29-39(30-28-37)49-35-48(38-17-7-2-8-18-38)55-53(56-49)41-21-11-4-12-22-41/h1-35H
InChIKeyMUSTUYREGIZXBB-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.85
Rot. Bonds7

About 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine

3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine (PubChem CID 146548907) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine.

Molecular Properties

Compound Name3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
PubChem CID146548907
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
SMILESc1ccc(-c2cccc(-c3cccc4c(-c5ccccc5)nc5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c34)c2)cc1
InChIInChI=1S/C53H35N3/c1-5-15-36(16-6-1)42-23-13-24-44(33-42)45-25-14-26-47-51(45)46-32-31-43(34-50(46)54-52(47)40-19-9-3-10-20-40)37-27-29-39(30-28-37)49-35-48(38-17-7-2-8-18-38)55-53(56-49)41-21-11-4-12-22-41/h1-35H
InChIKeyMUSTUYREGIZXBB-UHFFFAOYSA-N
XLogP13.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
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-(4-phenylphenyl)phenanthridine
CID 146548262
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
3-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;3-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 158712117
3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
CID 157389008
3-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548563
[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
CID 163523054
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine?
The IUPAC name of 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine (CID 146548907) is 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine.
What is the SMILES notation for 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine?
The canonical SMILES for 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine is c1ccc(-c2cccc(-c3cccc4c(-c5ccccc5)nc5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5c34)c2)cc1.
What is the InChIKey of 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine?
The InChIKey is MUSTUYREGIZXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-15-36(16-6-1)42-23-13-24-44(33-42)45-25-14-26-47-51(45)46-32-31-43(34-50(46)54-52(47)40-19-9-3-10-20-40)37-27-29-39(30-28-37)49-35-48(38-17-7-2-8-18-38)55-53(56-49)41-21-11-4-12-22-41/h1-35H.
What are the key properties of 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine?
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine is sourced from PubChem (CID 146548907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).