4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

C100H62N6S2 — CID 161151841

IUPAC4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cccc7ccccc67)cc4)c4c6ccccc6sc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5sc43)n2)cc1
InChIInChI=1S/C53H33N3S.C47H29N3S/c1-3-13-37(14-4-1)46-33-47(38-15-5-2-6-16-38)56-53(55-46)40-28-22-34(23-29-40)41-30-31-44-48(32-41)54-51(50-45-19-9-10-21-49(45)57-52(44)50)39-26-24-36(25-27-39)43-20-11-17-35-12-7-8-18-42(35)43;1-3-14-32(15-4-1)40-29-41(33-16-5-2-6-17-33)49-47(48-40)39-23-12-22-38-45(39)50-44(43-37-20-9-10-24-42(37)51-46(38)43)34-27-25-31(26-28-34)36-21-11-18-30-13-7-8-19-35(30)36/h1-33H;1-29H
InChIKeyUOTZRDSORFICEM-UHFFFAOYSA-N
MW1411.77 g/mol
LogP27.43
Rot. Bonds11

About 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (PubChem CID 161151841) has the molecular formula C100H62N6S2 and a molecular weight of 1411.77 g/mol. Its IUPAC name is 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
PubChem CID161151841
Molecular FormulaC100H62N6S2
Molecular Weight1411.77 g/mol
Exact Mass1410.45
IUPAC Name4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cccc7ccccc67)cc4)c4c6ccccc6sc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5sc43)n2)cc1
InChIInChI=1S/C53H33N3S.C47H29N3S/c1-3-13-37(14-4-1)46-33-47(38-15-5-2-6-16-38)56-53(55-46)40-28-22-34(23-29-40)41-30-31-44-48(32-41)54-51(50-45-19-9-10-21-49(45)57-52(44)50)39-26-24-36(25-27-39)43-20-11-17-35-12-7-8-18-42(35)43;1-3-14-32(15-4-1)40-29-41(33-16-5-2-6-17-33)49-47(48-40)39-23-12-22-38-45(39)50-44(43-37-20-9-10-24-42(37)51-46(38)43)34-27-25-31(26-28-34)36-21-11-18-30-13-7-8-19-35(30)36/h1-33H;1-29H
InChIKeyUOTZRDSORFICEM-UHFFFAOYSA-N
XLogP27.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.77
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-naphthalen-1-yl-[1]benzothiolo[3,2-c]quinoline
CID 153268121
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline;4-(2,6-diphenylpyrimidin-4-yl)-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline;4-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline;4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 159663313
3-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 157089598
11-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 162703615
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[3,2-c]quinoline
CID 157424729
3-phenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158533695
6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
4-(2,6-diphenylpyrimidin-4-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 157406402
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 158068296
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1-naphthalen-1-yl-[1]benzothiolo[3,2-c]quinoline
CID 146497934
6-naphthalen-1-yl-2-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]quinoline
CID 158798187

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (CID 161151841) is 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc(-c6cccc7ccccc67)cc4)c4c6ccccc6sc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5sc43)n2)cc1.
What is the InChIKey of 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is UOTZRDSORFICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.C47H29N3S/c1-3-13-37(14-4-1)46-33-47(38-15-5-2-6-16-38)56-53(55-46)40-28-22-34(23-29-40)41-30-31-44-48(32-41)54-51(50-45-19-9-10-21-49(45)57-52(44)50)39-26-24-36(25-27-39)43-20-11-17-35-12-7-8-18-42(35)43;1-3-14-32(15-4-1)40-29-41(33-16-5-2-6-17-33)49-47(48-40)39-23-12-22-38-45(39)50-44(43-37-20-9-10-24-42(37)51-46(38)43)34-27-25-31(26-28-34)36-21-11-18-30-13-7-8-19-35(30)36/h1-33H;1-29H.
What are the key properties of 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 1411.77 g/mol, XLogP of 27.43, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenylpyrimidin-2-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 161151841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).