8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline

C105H64N12S2 — CID 165014335

IUPAC8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7sc(-c8ccncc8)c(-c8ccncc8)c7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7cccnc7)c(-c7cccnc7)c6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C60H37N7S.C45H27N5S/c1-3-14-39(15-4-1)55-57-54(53(44-19-12-32-61-36-44)56(68-57)45-20-13-33-62-37-45)49-35-42(30-31-50(49)63-55)38-26-28-41(29-27-38)59-64-58(40-16-5-2-6-17-40)65-60(66-59)43-18-11-21-46(34-43)67-51-24-9-7-22-47(51)48-23-8-10-25-52(48)67;1-3-7-28(8-4-1)36-16-13-31-11-12-32-14-17-37(49-42(32)41(31)48-36)34-15-18-38-35(27-34)40-39(29-19-23-46-24-20-29)44(33-21-25-47-26-22-33)51-45(40)43(50-38)30-9-5-2-6-10-30/h1-37H;1-27H
InChIKeyKELKQAUXTSXRJR-UHFFFAOYSA-N
MW1557.89 g/mol
LogP26.86
Rot. Bonds13

About 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline

8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline (PubChem CID 165014335) has the molecular formula C105H64N12S2 and a molecular weight of 1557.89 g/mol. Its IUPAC name is 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline.

Molecular Properties

Compound Name8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
PubChem CID165014335
Molecular FormulaC105H64N12S2
Molecular Weight1557.89 g/mol
Exact Mass1556.48
IUPAC Name8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7sc(-c8ccncc8)c(-c8ccncc8)c7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7cccnc7)c(-c7cccnc7)c6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C60H37N7S.C45H27N5S/c1-3-14-39(15-4-1)55-57-54(53(44-19-12-32-61-36-44)56(68-57)45-20-13-33-62-37-45)49-35-42(30-31-50(49)63-55)38-26-28-41(29-27-38)59-64-58(40-16-5-2-6-17-40)65-60(66-59)43-18-11-21-46(34-43)67-51-24-9-7-22-47(51)48-23-8-10-25-52(48)67;1-3-7-28(8-4-1)36-16-13-31-11-12-32-14-17-37(49-42(32)41(31)48-36)34-15-18-38-35(27-34)40-39(29-19-23-46-24-20-29)44(33-21-25-47-26-22-33)51-45(40)43(50-38)30-9-5-2-6-10-30/h1-37H;1-27H
InChIKeyKELKQAUXTSXRJR-UHFFFAOYSA-N
XLogP26.86
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.89
LogP ≤ 526.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline with MolForge

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Related Compounds

8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 165068687
7-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;7-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165100373
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-diphenylthieno[3,2-c]quinoline
CID 164716443
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
CID 165037696
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
CID 164716940
7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716729
1,2,4-triphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)thieno[2,3-c]quinoline
CID 164716656
4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline
CID 165096204
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
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline
CID 164983821
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 164716285

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline?
The IUPAC name of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline (CID 165014335) is 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline.
What is the SMILES notation for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline?
The canonical SMILES for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7sc(-c8ccncc8)c(-c8ccncc8)c7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7cccnc7)c(-c7cccnc7)c6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline?
The InChIKey is KELKQAUXTSXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7S.C45H27N5S/c1-3-14-39(15-4-1)55-57-54(53(44-19-12-32-61-36-44)56(68-57)45-20-13-33-62-37-45)49-35-42(30-31-50(49)63-55)38-26-28-41(29-27-38)59-64-58(40-16-5-2-6-17-40)65-60(66-59)43-18-11-21-46(34-43)67-51-24-9-7-22-47(51)48-23-8-10-25-52(48)67;1-3-7-28(8-4-1)36-16-13-31-11-12-32-14-17-37(49-42(32)41(31)48-36)34-15-18-38-35(27-34)40-39(29-19-23-46-24-20-29)44(33-21-25-47-26-22-33)51-45(40)43(50-38)30-9-5-2-6-10-30/h1-37H;1-27H.
What are the key properties of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline?
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline has a molecular weight of 1557.89 g/mol, XLogP of 26.86, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline is sourced from PubChem (CID 165014335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).