2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine

C157H103N11 — CID 158506980

IUPAC2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1
InChIInChI=1S/C53H35N3.2C52H34N4/c1-5-14-36(15-6-1)37-24-28-39(29-25-37)45-22-13-23-46-51(45)47-34-44(32-33-48(47)54-52(46)42-18-9-3-10-19-42)38-26-30-41(31-27-38)50-35-49(40-16-7-2-8-17-40)55-53(56-50)43-20-11-4-12-21-43;1-5-14-35(15-6-1)36-24-28-38(29-25-36)44-22-13-23-45-48(44)46-34-43(32-33-47(46)53-49(45)39-16-7-2-8-17-39)37-26-30-42(31-27-37)52-55-50(40-18-9-3-10-19-40)54-51(56-52)41-20-11-4-12-21-41;1-3-12-35(13-4-1)36-24-26-39(27-25-36)43-16-11-17-44-51(43)45-32-41(28-29-46(45)56-52(44)40-14-5-2-6-15-40)37-20-22-38(23-21-37)42-33-49(47-18-7-9-30-53-47)55-50(34-42)48-19-8-10-31-54-48/h1-35H;2*1-34H
InChIKeyHKOUGZQIZGVCHA-UHFFFAOYSA-N
MW2143.63 g/mol
LogP40.33
Rot. Bonds21

About 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine

2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine (PubChem CID 158506980) has the molecular formula C157H103N11 and a molecular weight of 2143.63 g/mol. Its IUPAC name is 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine.

Molecular Properties

Compound Name2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
PubChem CID158506980
Molecular FormulaC157H103N11
Molecular Weight2143.63 g/mol
Exact Mass2141.84
IUPAC Name2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1
InChIInChI=1S/C53H35N3.2C52H34N4/c1-5-14-36(15-6-1)37-24-28-39(29-25-37)45-22-13-23-46-51(45)47-34-44(32-33-48(47)54-52(46)42-18-9-3-10-19-42)38-26-30-41(31-27-38)50-35-49(40-16-7-2-8-17-40)55-53(56-50)43-20-11-4-12-21-43;1-5-14-35(15-6-1)36-24-28-38(29-25-36)44-22-13-23-45-48(44)46-34-43(32-33-47(46)53-49(45)39-16-7-2-8-17-39)37-26-30-42(31-27-37)52-55-50(40-18-9-3-10-19-40)54-51(56-52)41-20-11-4-12-21-41;1-3-12-35(13-4-1)36-24-26-39(27-25-36)43-16-11-17-44-51(43)45-32-41(28-29-46(45)56-52(44)40-14-5-2-6-15-40)37-20-22-38(23-21-37)42-33-49(47-18-7-9-30-53-47)55-50(34-42)48-19-8-10-31-54-48/h1-35H;2*1-34H
InChIKeyHKOUGZQIZGVCHA-UHFFFAOYSA-N
XLogP40.33
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002143.63
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine with MolForge

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Related Compounds

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-6-(2-phenylphenyl)phenanthridine
CID 146548752
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-pyridin-3-ylphenanthridine
CID 146549250
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-phenyl-9-(6-phenyl-10-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
CID 161059939

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine?
The IUPAC name of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine (CID 158506980) is 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine.
What is the SMILES notation for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine?
The canonical SMILES for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine is c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c34)cc2)cc1.
What is the InChIKey of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine?
The InChIKey is HKOUGZQIZGVCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3.2C52H34N4/c1-5-14-36(15-6-1)37-24-28-39(29-25-37)45-22-13-23-46-51(45)47-34-44(32-33-48(47)54-52(46)42-18-9-3-10-19-42)38-26-30-41(31-27-38)50-35-49(40-16-7-2-8-17-40)55-53(56-50)43-20-11-4-12-21-43;1-5-14-35(15-6-1)36-24-28-38(29-25-36)44-22-13-23-45-48(44)46-34-43(32-33-47(46)53-49(45)39-16-7-2-8-17-39)37-26-30-42(31-27-37)52-55-50(40-18-9-3-10-19-40)54-51(56-52)41-20-11-4-12-21-41;1-3-12-35(13-4-1)36-24-26-39(27-25-36)43-16-11-17-44-51(43)45-32-41(28-29-46(45)56-52(44)40-14-5-2-6-15-40)37-20-22-38(23-21-37)42-33-49(47-18-7-9-30-53-47)55-50(34-42)48-19-8-10-31-54-48/h1-35H;2*1-34H.
What are the key properties of 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine?
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine has a molecular weight of 2143.63 g/mol, XLogP of 40.33, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine is sourced from PubChem (CID 158506980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).