3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline

C156H94N12S3 — CID 162044722

IUPAC3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5nc(-c5cc7ccccc7c7ccccc57)c5sc7ccccc7c56)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C56H34N4S.2C50H30N4S/c1-2-19-41-39(14-1)32-47(44-21-4-3-20-43(41)44)55-56-53(45-22-5-6-27-52(45)61-56)46-24-13-23-42(54(46)60-55)38-18-12-16-36(31-38)35-15-11-17-37(30-35)40-33-50(48-25-7-9-28-57-48)59-51(34-40)49-26-8-10-29-58-49;1-2-13-35-33(12-1)28-41(38-15-4-3-14-37(35)38)49-50-47(39-16-5-6-21-46(39)55-50)40-18-11-17-36(48(40)54-49)32-24-22-31(23-25-32)34-29-44(42-19-7-9-26-51-42)53-45(30-34)43-20-8-10-27-52-43;1-2-12-36-34(11-1)27-41(38-14-4-3-13-37(36)38)49-50-48(40-15-5-6-18-47(40)55-50)39-24-23-33(28-44(39)54-49)31-19-21-32(22-20-31)35-29-45(42-16-7-9-25-51-42)53-46(30-35)43-17-8-10-26-52-43/h1-34H;2*1-30H
InChIKeyYXSWBOLQZMQFKA-UHFFFAOYSA-N
MW2232.75 g/mol
LogP41.95
Rot. Bonds16

About 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 162044722) has the molecular formula C156H94N12S3 and a molecular weight of 2232.75 g/mol. Its IUPAC name is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline
PubChem CID162044722
Molecular FormulaC156H94N12S3
Molecular Weight2232.75 g/mol
Exact Mass2230.69
IUPAC Name3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5nc(-c5cc7ccccc7c7ccccc57)c5sc7ccccc7c56)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C56H34N4S.2C50H30N4S/c1-2-19-41-39(14-1)32-47(44-21-4-3-20-43(41)44)55-56-53(45-22-5-6-27-52(45)61-56)46-24-13-23-42(54(46)60-55)38-18-12-16-36(31-38)35-15-11-17-37(30-35)40-33-50(48-25-7-9-28-57-48)59-51(34-40)49-26-8-10-29-58-49;1-2-13-35-33(12-1)28-41(38-15-4-3-14-37(35)38)49-50-47(39-16-5-6-21-46(39)55-50)40-18-11-17-36(48(40)54-49)32-24-22-31(23-25-32)34-29-44(42-19-7-9-26-51-42)53-45(30-34)43-20-8-10-27-52-43;1-2-12-36-34(11-1)27-41(38-14-4-3-13-37(36)38)49-50-48(40-15-5-6-18-47(40)55-50)39-24-23-33(28-44(39)54-49)31-19-21-32(22-20-31)35-29-45(42-16-7-9-25-51-42)53-46(30-35)43-17-8-10-26-52-43/h1-34H;2*1-30H
InChIKeyYXSWBOLQZMQFKA-UHFFFAOYSA-N
XLogP41.95
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002232.75
LogP ≤ 541.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 159968449
3-[3-[3-(2,6-dipyridin-2-yl-1,2-dihydropyridin-4-yl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline
CID 160604840
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
11-[4-(3-diphenylphosphorylphenyl)phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158930325
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
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
CID 146549128
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 160808607
1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;2-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;3-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline;6-naphthalen-1-yl-4-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 158528051
11-[4-(3-diphenylphosphorylphenyl)phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158573910
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716471
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
CID 164716732

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline (CID 162044722) is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4sc6ccccc6c45)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5nc(-c5cc7ccccc7c7ccccc57)c5sc7ccccc7c56)c4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is YXSWBOLQZMQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S.2C50H30N4S/c1-2-19-41-39(14-1)32-47(44-21-4-3-20-43(41)44)55-56-53(45-22-5-6-27-52(45)61-56)46-24-13-23-42(54(46)60-55)38-18-12-16-36(31-38)35-15-11-17-37(30-35)40-33-50(48-25-7-9-28-57-48)59-51(34-40)49-26-8-10-29-58-49;1-2-13-35-33(12-1)28-41(38-15-4-3-14-37(35)38)49-50-47(39-16-5-6-21-46(39)55-50)40-18-11-17-36(48(40)54-49)32-24-22-31(23-25-32)34-29-44(42-19-7-9-26-51-42)53-45(30-34)43-20-8-10-27-52-43;1-2-12-36-34(11-1)27-41(38-14-4-3-13-37(36)38)49-50-48(40-15-5-6-18-47(40)55-50)39-24-23-33(28-44(39)54-49)31-19-21-32(22-20-31)35-29-45(42-16-7-9-25-51-42)53-46(30-35)43-17-8-10-26-52-43/h1-34H;2*1-30H.
What are the key properties of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline?
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2232.75 g/mol, XLogP of 41.95, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline;4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenanthren-9-yl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 162044722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).