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

C152H92N10OS4 — CID 160808607

IUPAC1-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C55H33N3OS.C55H33N3S2.C42H26N4S/c1-3-14-35(15-4-1)46-33-47(36-30-28-34(29-31-36)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)39-19-11-18-38(32-39)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)37-16-5-2-6-17-37;1-3-14-35(15-4-1)46-33-47(39-19-11-18-38(32-39)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)37-30-28-34(29-31-37)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)36-16-5-2-6-17-36;1-2-11-29(12-3-1)40-42-39(32-13-4-5-18-38(32)47-42)33-15-10-14-31(41(33)46-40)28-21-19-27(20-22-28)30-25-36(34-16-6-8-23-43-34)45-37(26-30)35-17-7-9-24-44-35/h2*1-33H;1-26H
InChIKeySEAGQPLATMFUIA-UHFFFAOYSA-N
MW2202.74 g/mol
LogP42.18
Rot. Bonds17

About 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

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 (PubChem CID 160808607) has the molecular formula C152H92N10OS4 and a molecular weight of 2202.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160808607
Molecular FormulaC152H92N10OS4
Molecular Weight2202.74 g/mol
Exact Mass2200.63
IUPAC Name1-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C55H33N3OS.C55H33N3S2.C42H26N4S/c1-3-14-35(15-4-1)46-33-47(36-30-28-34(29-31-36)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)39-19-11-18-38(32-39)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)37-16-5-2-6-17-37;1-3-14-35(15-4-1)46-33-47(39-19-11-18-38(32-39)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)37-30-28-34(29-31-37)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)36-16-5-2-6-17-36;1-2-11-29(12-3-1)40-42-39(32-13-4-5-18-38(32)47-42)33-15-10-14-31(41(33)46-40)28-21-19-27(20-22-28)30-25-36(34-16-6-8-23-43-34)45-37(26-30)35-17-7-9-24-44-35/h2*1-33H;1-26H
InChIKeySEAGQPLATMFUIA-UHFFFAOYSA-N
XLogP42.18
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.74
LogP ≤ 542.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c2sc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is SEAGQPLATMFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS.C55H33N3S2.C42H26N4S/c1-3-14-35(15-4-1)46-33-47(36-30-28-34(29-31-36)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)39-19-11-18-38(32-39)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)37-16-5-2-6-17-37;1-3-14-35(15-4-1)46-33-47(39-19-11-18-38(32-39)41-23-12-24-43-42-20-7-9-26-48(42)59-53(41)43)58-55(57-46)37-30-28-34(29-31-37)40-22-13-25-45-50(40)51-44-21-8-10-27-49(44)60-54(51)52(56-45)36-16-5-2-6-17-36;1-2-11-29(12-3-1)40-42-39(32-13-4-5-18-38(32)47-42)33-15-10-14-31(41(33)46-40)28-21-19-27(20-22-28)30-25-36(34-16-6-8-23-43-34)45-37(26-30)35-17-7-9-24-44-35/h2*1-33H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 2202.74 g/mol, XLogP of 42.18, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).