6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline

C165H101N11OS3 — CID 157437162

IUPAC6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc2)c2c4ccccc4sc32)cc1
InChIInChI=1S/2C55H34N4S.C55H33N3OS/c1-3-14-35(15-4-1)39-30-31-44-48(33-39)56-53(52-45-22-9-12-25-51(45)60-54(44)52)38-28-26-37(27-29-38)47-34-46(36-16-5-2-6-17-36)57-55(58-47)40-18-13-19-41(32-40)59-49-23-10-7-20-42(49)43-21-8-11-24-50(43)59;1-3-13-35(14-4-1)40-29-32-44-48(33-40)56-53(52-45-19-9-12-22-51(45)60-54(44)52)38-25-23-37(24-26-38)47-34-46(36-15-5-2-6-16-36)57-55(58-47)39-27-30-41(31-28-39)59-49-20-10-7-17-42(49)43-18-8-11-21-50(43)59;1-3-12-34(13-4-1)40-30-31-44-48(32-40)56-52(51-45-17-8-10-21-50(45)60-54(44)51)38-26-24-37(25-27-38)47-33-46(36-14-5-2-6-15-36)57-55(58-47)39-28-22-35(23-29-39)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43/h2*1-34H;1-33H
InChIKeyBRFYSCWPUPXPJV-UHFFFAOYSA-N
MW2349.90 g/mol
LogP44.94
Rot. Bonds18

About 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline

6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline (PubChem CID 157437162) has the molecular formula C165H101N11OS3 and a molecular weight of 2349.90 g/mol. Its IUPAC name is 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
PubChem CID157437162
Molecular FormulaC165H101N11OS3
Molecular Weight2349.90 g/mol
Exact Mass2347.74
IUPAC Name6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc2)c2c4ccccc4sc32)cc1
InChIInChI=1S/2C55H34N4S.C55H33N3OS/c1-3-14-35(15-4-1)39-30-31-44-48(33-39)56-53(52-45-22-9-12-25-51(45)60-54(44)52)38-28-26-37(27-29-38)47-34-46(36-16-5-2-6-17-36)57-55(58-47)40-18-13-19-41(32-40)59-49-23-10-7-20-42(49)43-21-8-11-24-50(43)59;1-3-13-35(14-4-1)40-29-32-44-48(33-40)56-53(52-45-19-9-12-22-51(45)60-54(44)52)38-25-23-37(24-26-38)47-34-46(36-15-5-2-6-16-36)57-55(58-47)39-27-30-41(31-28-39)59-49-20-10-7-17-42(49)43-18-8-11-21-50(43)59;1-3-12-34(13-4-1)40-30-31-44-48(32-40)56-52(51-45-17-8-10-21-50(45)60-54(44)51)38-26-24-37(25-27-38)47-33-46(36-14-5-2-6-15-36)57-55(58-47)39-28-22-35(23-29-39)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43/h2*1-34H;1-33H
InChIKeyBRFYSCWPUPXPJV-UHFFFAOYSA-N
XLogP44.94
TPSA139.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.90
LogP ≤ 544.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
CID 157377533
CID 157377533
CID 157388239
CID 157388239
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157680332
4-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
CID 158513657
2-[3,5-Bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158806321
9-[4-Dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158916941
3-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2-isocyanophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158951677
9-[4-Dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158958809
CID 158988818
CID 158988818
9-[4-Dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 159071207
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2-isocyanophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159169158

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline (CID 157437162) is 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc2)c2c4ccccc4sc32)cc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc2)c2c4ccccc4sc32)cc1.
What is the InChIKey of 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is BRFYSCWPUPXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N4S.C55H33N3OS/c1-3-14-35(15-4-1)39-30-31-44-48(33-39)56-53(52-45-22-9-12-25-51(45)60-54(44)52)38-28-26-37(27-29-38)47-34-46(36-16-5-2-6-17-36)57-55(58-47)40-18-13-19-41(32-40)59-49-23-10-7-20-42(49)43-21-8-11-24-50(43)59;1-3-13-35(14-4-1)40-29-32-44-48(33-40)56-53(52-45-19-9-12-22-51(45)60-54(44)52)38-25-23-37(24-26-38)47-34-46(36-15-5-2-6-16-36)57-55(58-47)39-27-30-41(31-28-39)59-49-20-10-7-17-42(49)43-18-8-11-21-50(43)59;1-3-12-34(13-4-1)40-30-31-44-48(32-40)56-52(51-45-17-8-10-21-50(45)60-54(44)51)38-26-24-37(25-27-38)47-33-46(36-14-5-2-6-15-36)57-55(58-47)39-28-22-35(23-29-39)41-18-11-19-43-42-16-7-9-20-49(42)59-53(41)43/h2*1-34H;1-33H.
What are the key properties of 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline?
6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 2349.90 g/mol, XLogP of 44.94, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[2-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 157437162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).