6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline

C116H74N6S2 — CID 160744200

IUPAC6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7cccc(-c8ccccc8)c7c7c6sc6ccccc67)c5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cccc4nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5)c5sc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C61H39N3S.C55H35N3S/c1-4-14-40(15-5-1)42-26-32-46(33-27-42)54-39-55(47-34-28-43(29-35-47)41-16-6-2-7-17-41)64-61(63-54)48-36-30-44(31-37-48)49-20-12-21-50(38-49)59-60-58(52-22-10-11-25-56(52)65-60)57-51(23-13-24-53(57)62-59)45-18-8-3-9-19-45;1-4-16-36(17-5-1)39-22-12-25-42(32-39)45-29-15-30-47-51(45)52-46-28-10-11-31-50(46)59-54(52)53(56-47)43-26-13-23-40(33-43)41-24-14-27-44(34-41)55-57-48(37-18-6-2-7-19-37)35-49(58-55)38-20-8-3-9-21-38/h1-39H;1-35H
InChIKeyRVZDENDUHOVQII-UHFFFAOYSA-N
MW1616.04 g/mol
LogP31.79
Rot. Bonds15

About 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline

6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline (PubChem CID 160744200) has the molecular formula C116H74N6S2 and a molecular weight of 1616.04 g/mol. Its IUPAC name is 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
PubChem CID160744200
Molecular FormulaC116H74N6S2
Molecular Weight1616.04 g/mol
Exact Mass1614.54
IUPAC Name6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7cccc(-c8ccccc8)c7c7c6sc6ccccc67)c5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cccc4nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5)c5sc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C61H39N3S.C55H35N3S/c1-4-14-40(15-5-1)42-26-32-46(33-27-42)54-39-55(47-34-28-43(29-35-47)41-16-6-2-7-17-41)64-61(63-54)48-36-30-44(31-37-48)49-20-12-21-50(38-49)59-60-58(52-22-10-11-25-56(52)65-60)57-51(23-13-24-53(57)62-59)45-18-8-3-9-19-45;1-4-16-36(17-5-1)39-22-12-25-42(32-39)45-29-15-30-47-51(45)52-46-28-10-11-31-50(46)59-54(52)53(56-47)43-26-13-23-40(33-43)41-24-14-27-44(34-41)55-57-48(37-18-6-2-7-19-37)35-49(58-55)38-20-8-3-9-21-38/h1-39H;1-35H
InChIKeyRVZDENDUHOVQII-UHFFFAOYSA-N
XLogP31.79
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001616.04
LogP ≤ 531.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1-naphthalen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 157406468
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 158226207
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 157492373
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 159439837
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159603642
11-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703489
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 161198535
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157061104
1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[3,2-c]quinoline
CID 160609946
1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[3,2-c]quinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzothiolo[3,2-c]quinoline
CID 160609945

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline (CID 160744200) is 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7cccc(-c8ccccc8)c7c7c6sc6ccccc67)c5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cccc4nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5)c5sc6ccccc6c5c34)c2)cc1.
What is the InChIKey of 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is RVZDENDUHOVQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3S.C55H35N3S/c1-4-14-40(15-5-1)42-26-32-46(33-27-42)54-39-55(47-34-28-43(29-35-47)41-16-6-2-7-17-41)64-61(63-54)48-36-30-44(31-37-48)49-20-12-21-50(38-49)59-60-58(52-22-10-11-25-56(52)65-60)57-51(23-13-24-53(57)62-59)45-18-8-3-9-19-45;1-4-16-36(17-5-1)39-22-12-25-42(32-39)45-29-15-30-47-51(45)52-46-28-10-11-31-50(46)59-54(52)53(56-47)43-26-13-23-40(33-43)41-24-14-27-44(34-41)55-57-48(37-18-6-2-7-19-37)35-49(58-55)38-20-8-3-9-21-38/h1-39H;1-35H.
What are the key properties of 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline?
6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1616.04 g/mol, XLogP of 31.79, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 160744200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).