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

C101H65N7 — CID 159906159

IUPAC2-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C52H34N4.C49H31N3/c1-3-14-36(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/h1-34H;1-31H
InChIKeyNWPDHIQDFCUITF-UHFFFAOYSA-N
MW1376.68 g/mol
LogP26.06
Rot. Bonds12

About 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

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 (PubChem CID 159906159) has the molecular formula C101H65N7 and a molecular weight of 1376.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159906159
Molecular FormulaC101H65N7
Molecular Weight1376.68 g/mol
Exact Mass1375.53
IUPAC Name2-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C52H34N4.C49H31N3/c1-3-14-36(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/h1-34H;1-31H
InChIKeyNWPDHIQDFCUITF-UHFFFAOYSA-N
XLogP26.06
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.68
LogP ≤ 526.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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;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;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
8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine;2,4,6-triphenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)triazolo[4,5-k]phenanthridine
CID 167596003
4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249271
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
CID 159889513
2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 134167397
2-phenyl-9-[10-phenyl-6-(4-phenyl-2-pyridinyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548287
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167648072
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-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
CID 158506980
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c6nc(-c6ccccc6)c6cccc(-c8ccccc8)c67)c5)nc4c3n2)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;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is NWPDHIQDFCUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C49H31N3/c1-3-14-36(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/h1-34H;1-31H.
What are the key properties of 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?
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 has a molecular weight of 1376.68 g/mol, XLogP of 26.06, 12 rotatable bonds, 0 hydrogen bond donors, and 7 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;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 159906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).