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

C153H99N11 — CID 159184433

IUPAC2-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/2C52H34N4.C49H31N3/c1-5-15-36(16-6-1)44-25-14-26-46-48(44)45-32-31-43(34-47(45)53-49(46)37-17-7-2-8-18-37)42-24-13-23-41(33-42)35-27-29-40(30-28-35)52-55-50(38-19-9-3-10-20-38)54-51(56-52)39-21-11-4-12-22-39;1-3-14-36(15-4-1)42-20-12-22-44-50(42)45-23-13-21-43(52(45)56-51(44)38-16-5-2-6-17-38)37-28-26-35(27-29-37)39-18-11-19-40(32-39)41-33-48(46-24-7-9-30-53-46)55-49(34-41)47-25-8-10-31-54-47;1-4-13-32(14-5-1)39-21-11-23-41-45(39)42-24-12-22-40(49(42)52-46(41)34-17-8-3-9-18-34)37-19-10-20-38(31-37)44-30-28-36-26-25-35-27-29-43(33-15-6-2-7-16-33)50-47(35)48(36)51-44/h2*1-34H;1-31H
InChIKeyKNHONUZGTLDHJQ-UHFFFAOYSA-N
MW2091.55 g/mol
LogP39.30
Rot. Bonds19

About 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

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 (PubChem CID 159184433) has the molecular formula C153H99N11 and a molecular weight of 2091.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159184433
Molecular FormulaC153H99N11
Molecular Weight2091.55 g/mol
Exact Mass2089.81
IUPAC Name2-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/2C52H34N4.C49H31N3/c1-5-15-36(16-6-1)44-25-14-26-46-48(44)45-32-31-43(34-47(45)53-49(46)37-17-7-2-8-18-37)42-24-13-23-41(33-42)35-27-29-40(30-28-35)52-55-50(38-19-9-3-10-20-38)54-51(56-52)39-21-11-4-12-22-39;1-3-14-36(15-4-1)42-20-12-22-44-50(42)45-23-13-21-43(52(45)56-51(44)38-16-5-2-6-17-38)37-28-26-35(27-29-37)39-18-11-19-40(32-39)41-33-48(46-24-7-9-30-53-46)55-49(34-41)47-25-8-10-31-54-47;1-4-13-32(14-5-1)39-21-11-23-41-45(39)42-24-12-22-40(49(42)52-46(41)34-17-8-3-9-18-34)37-19-10-20-38(31-37)44-30-28-36-26-25-35-27-29-43(33-15-6-2-7-16-33)50-47(35)48(36)51-44/h2*1-34H;1-31H
InChIKeyKNHONUZGTLDHJQ-UHFFFAOYSA-N
XLogP39.30
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.55
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine;2-(10-naphthalen-1-yl-6-phenylphenanthridin-3-yl)-9-phenyl-1,10-phenanthroline
CID 159809998
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
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
CID 146549128
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 165102432
4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
CID 160572866
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
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 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?
The InChIKey is KNHONUZGTLDHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4.C49H31N3/c1-5-15-36(16-6-1)44-25-14-26-46-48(44)45-32-31-43(34-47(45)53-49(46)37-17-7-2-8-18-37)42-24-13-23-41(33-42)35-27-29-40(30-28-35)52-55-50(38-19-9-3-10-20-38)54-51(56-52)39-21-11-4-12-22-39;1-3-14-36(15-4-1)42-20-12-22-44-50(42)45-23-13-21-43(52(45)56-51(44)38-16-5-2-6-17-38)37-28-26-35(27-29-37)39-18-11-19-40(32-39)41-33-48(46-24-7-9-30-53-46)55-49(34-41)47-25-8-10-31-54-47;1-4-13-32(14-5-1)39-21-11-23-41-45(39)42-24-12-22-40(49(42)52-46(41)34-17-8-3-9-18-34)37-19-10-20-38(31-37)44-30-28-36-26-25-35-27-29-43(33-15-6-2-7-16-33)50-47(35)48(36)51-44/h2*1-34H;1-31H.
What are the key properties of 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?
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 has a molecular weight of 2091.55 g/mol, XLogP of 39.30, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159184433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).