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

C208H124N12S4 — CID 159663313

IUPAC3-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)n3)cc2)cc1
InChIInChI=1S/2C55H33N3S.2C49H29N3S/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)55-56-48(36-16-5-2-6-17-36)33-49(57-55)44-23-13-24-46-53(44)58-52(51-45-22-11-12-25-50(45)59-54(46)51)38-30-31-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)47(43)32-38;1-3-13-35(14-4-1)48-33-49(58-55(57-48)37-15-5-2-6-16-37)36-25-23-34(24-26-36)38-27-30-45-50(32-38)56-53(52-46-21-11-12-22-51(46)59-54(45)52)39-28-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-39;1-3-14-30(15-4-1)42-29-43(51-49(50-42)31-16-5-2-6-17-31)38-23-13-24-40-47(38)52-46(45-39-22-11-12-25-44(39)53-48(40)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32;1-3-14-30(15-4-1)42-29-43(31-16-5-2-6-17-31)51-49(50-42)40-24-13-23-39-47(40)52-46(45-38-22-11-12-25-44(38)53-48(39)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32/h2*1-33H;2*1-29H
InChIKeyMTBYFYWDBSXVEJ-UHFFFAOYSA-N
MW2919.63 g/mol
LogP57.42
Rot. Bonds18

About 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

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 (PubChem CID 159663313) has the molecular formula C208H124N12S4 and a molecular weight of 2919.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159663313
Molecular FormulaC208H124N12S4
Molecular Weight2919.63 g/mol
Exact Mass2916.90
IUPAC Name3-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)n3)cc2)cc1
InChIInChI=1S/2C55H33N3S.2C49H29N3S/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)55-56-48(36-16-5-2-6-17-36)33-49(57-55)44-23-13-24-46-53(44)58-52(51-45-22-11-12-25-50(45)59-54(46)51)38-30-31-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)47(43)32-38;1-3-13-35(14-4-1)48-33-49(58-55(57-48)37-15-5-2-6-16-37)36-25-23-34(24-26-36)38-27-30-45-50(32-38)56-53(52-46-21-11-12-22-51(46)59-54(45)52)39-28-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-39;1-3-14-30(15-4-1)42-29-43(51-49(50-42)31-16-5-2-6-17-31)38-23-13-24-40-47(38)52-46(45-39-22-11-12-25-44(39)53-48(40)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32;1-3-14-30(15-4-1)42-29-43(31-16-5-2-6-17-31)51-49(50-42)40-24-13-23-39-47(40)52-46(45-38-22-11-12-25-44(38)53-48(39)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32/h2*1-33H;2*1-29H
InChIKeyMTBYFYWDBSXVEJ-UHFFFAOYSA-N
XLogP57.42
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.63
LogP ≤ 557.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(2,6-diphenylpyrimidin-4-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
CID 157406402
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
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-naphthalen-1-yl-[1]benzothiolo[3,2-c]quinoline
CID 153268121
6-[4-(4-phenyl-6-triphenylen-2-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163849329
3-phenanthren-9-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 157089598
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 157135780
6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
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
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[3,2-c]quinoline
CID 157424729
3-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158165735
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 161309574

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5sc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MTBYFYWDBSXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H33N3S.2C49H29N3S/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)55-56-48(36-16-5-2-6-17-36)33-49(57-55)44-23-13-24-46-53(44)58-52(51-45-22-11-12-25-50(45)59-54(46)51)38-30-31-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)47(43)32-38;1-3-13-35(14-4-1)48-33-49(58-55(57-48)37-15-5-2-6-16-37)36-25-23-34(24-26-36)38-27-30-45-50(32-38)56-53(52-46-21-11-12-22-51(46)59-54(45)52)39-28-29-44-42-19-8-7-17-40(42)41-18-9-10-20-43(41)47(44)31-39;1-3-14-30(15-4-1)42-29-43(51-49(50-42)31-16-5-2-6-17-31)38-23-13-24-40-47(38)52-46(45-39-22-11-12-25-44(39)53-48(40)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32;1-3-14-30(15-4-1)42-29-43(31-16-5-2-6-17-31)51-49(50-42)40-24-13-23-39-47(40)52-46(45-38-22-11-12-25-44(38)53-48(39)45)32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)41(37)28-32/h2*1-33H;2*1-29H.
What are the key properties of 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?
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 has a molecular weight of 2919.63 g/mol, XLogP of 57.42, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159663313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).