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

C138H88N12 — CID 159809998

IUPAC3-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7cccc8ccccc78)c56)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)n2)cc1
InChIInChI=1S/C47H29N3.C46H30N4.C45H29N5/c1-3-12-31(13-4-1)41-27-24-33-21-22-34-25-28-42(49-47(34)46(33)48-41)35-23-26-39-43(29-35)50-45(32-14-5-2-6-15-32)40-20-10-19-38(44(39)40)37-18-9-16-30-11-7-8-17-36(30)37;1-4-13-32(14-5-1)41-30-42(50-46(49-41)35-17-8-3-9-18-35)33-24-22-31(23-25-33)36-26-27-38-43(29-36)48-45(34-15-6-2-7-16-34)39-20-12-19-37(44(38)39)40-21-10-11-28-47-40;1-4-13-31(14-5-1)42-38-20-12-19-36(39-21-10-11-28-46-39)41(38)37-27-26-35(29-40(37)47-42)30-22-24-34(25-23-30)45-49-43(32-15-6-2-7-16-32)48-44(50-45)33-17-8-3-9-18-33/h1-29H;1-30H;1-29H
InChIKeyNKXAOPCALBDSFF-UHFFFAOYSA-N
MW1914.31 g/mol
LogP34.85
Rot. Bonds16

About 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

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 (PubChem CID 159809998) has the molecular formula C138H88N12 and a molecular weight of 1914.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159809998
Molecular FormulaC138H88N12
Molecular Weight1914.31 g/mol
Exact Mass1912.73
IUPAC Name3-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7cccc8ccccc78)c56)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)n2)cc1
InChIInChI=1S/C47H29N3.C46H30N4.C45H29N5/c1-3-12-31(13-4-1)41-27-24-33-21-22-34-25-28-42(49-47(34)46(33)48-41)35-23-26-39-43(29-35)50-45(32-14-5-2-6-15-32)40-20-10-19-38(44(39)40)37-18-9-16-30-11-7-8-17-36(30)37;1-4-13-32(14-5-1)41-30-42(50-46(49-41)35-17-8-3-9-18-35)33-24-22-31(23-25-33)36-26-27-38-43(29-36)48-45(34-15-6-2-7-16-34)39-20-12-19-37(44(38)39)40-21-10-11-28-47-40;1-4-13-31(14-5-1)42-38-20-12-19-36(39-21-10-11-28-46-39)41(38)37-27-26-35(29-40(37)47-42)30-22-24-34(25-23-30)45-49-43(32-15-6-2-7-16-32)48-44(50-45)33-17-8-3-9-18-33/h1-29H;1-30H;1-29H
InChIKeyNKXAOPCALBDSFF-UHFFFAOYSA-N
XLogP34.85
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.31
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
6-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665289
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
2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 130316355
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
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7cccc8ccccc78)c56)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccn6)c45)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is NKXAOPCALBDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3.C46H30N4.C45H29N5/c1-3-12-31(13-4-1)41-27-24-33-21-22-34-25-28-42(49-47(34)46(33)48-41)35-23-26-39-43(29-35)50-45(32-14-5-2-6-15-32)40-20-10-19-38(44(39)40)37-18-9-16-30-11-7-8-17-36(30)37;1-4-13-32(14-5-1)41-30-42(50-46(49-41)35-17-8-3-9-18-35)33-24-22-31(23-25-33)36-26-27-38-43(29-36)48-45(34-15-6-2-7-16-34)39-20-12-19-37(44(38)39)40-21-10-11-28-47-40;1-4-13-31(14-5-1)42-38-20-12-19-36(39-21-10-11-28-46-39)41(38)37-27-26-35(29-40(37)47-42)30-22-24-34(25-23-30)45-49-43(32-15-6-2-7-16-32)48-44(50-45)33-17-8-3-9-18-33/h1-29H;1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 1914.31 g/mol, XLogP of 34.85, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159809998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).