9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole

C196H122N14S4 — CID 160673598

IUPAC9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H32N4S.2C46H29N3S/c1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-29-27-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)31-42(47)40-28-30-49-50(51(40)56)41-19-9-12-22-48(41)57-49;1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-31-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)27-28-40(47)41-29-30-49-50(51(41)56)42-19-9-12-22-48(42)57-49;1-4-14-30(15-5-1)37-28-42-44(36-21-11-13-23-41(36)50-42)45-43(37)35-20-10-12-22-40(35)49(45)34-26-24-32(25-27-34)39-29-38(31-16-6-2-7-17-31)47-46(48-39)33-18-8-3-9-19-33;1-4-14-30(15-5-1)37-28-38-35-20-10-12-22-41(35)49(44(38)43-36-21-11-13-23-42(36)50-45(37)43)34-26-24-32(25-27-34)40-29-39(31-16-6-2-7-17-31)47-46(48-40)33-18-8-3-9-19-33/h2*1-32H;2*1-29H
InChIKeyRNGBCCNNVJETHX-UHFFFAOYSA-N
MW2801.50 g/mol
LogP53.30
Rot. Bonds20

About 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole

9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 160673598) has the molecular formula C196H122N14S4 and a molecular weight of 2801.50 g/mol. Its IUPAC name is 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole
PubChem CID160673598
Molecular FormulaC196H122N14S4
Molecular Weight2801.50 g/mol
Exact Mass2798.89
IUPAC Name9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H32N4S.2C46H29N3S/c1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-29-27-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)31-42(47)40-28-30-49-50(51(40)56)41-19-9-12-22-48(41)57-49;1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-31-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)27-28-40(47)41-29-30-49-50(51(41)56)42-19-9-12-22-48(42)57-49;1-4-14-30(15-5-1)37-28-42-44(36-21-11-13-23-41(36)50-42)45-43(37)35-20-10-12-22-40(35)49(45)34-26-24-32(25-27-34)39-29-38(31-16-6-2-7-17-31)47-46(48-39)33-18-8-3-9-19-33;1-4-14-30(15-5-1)37-28-38-35-20-10-12-22-41(35)49(44(38)43-36-21-11-13-23-42(36)50-45(37)43)34-26-24-32(25-27-34)40-29-39(31-16-6-2-7-17-31)47-46(48-40)33-18-8-3-9-19-33/h2*1-32H;2*1-29H
InChIKeyRNGBCCNNVJETHX-UHFFFAOYSA-N
XLogP53.30
TPSA132.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.50
LogP ≤ 553.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole with MolForge

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 158122781
9-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158448773
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 158900812
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-methyl-[1]benzothiolo[3,2-a]carbazole
CID 121287146
12-[3-[4-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-6-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[6-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158286176
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzothiol-10-yl]-[1]benzothiolo[3,2-a]carbazole
CID 154968575
17-carbazol-9-yl-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 162477807
12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 160586357
12-phenyl-7-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530331
12-phenyl-7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530318
12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 126630823
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole (CID 160673598) is 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)c6sc7ccccc7c6c54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is RNGBCCNNVJETHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4S.2C46H29N3S/c1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-29-27-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)31-42(47)40-28-30-49-50(51(40)56)41-19-9-12-22-48(41)57-49;1-3-13-33(14-4-1)43-32-44(54-52(53-43)35-15-5-2-6-16-35)34-23-25-36(26-24-34)56-47-31-37(55-45-20-10-7-17-38(45)39-18-8-11-21-46(39)55)27-28-40(47)41-29-30-49-50(51(41)56)42-19-9-12-22-48(42)57-49;1-4-14-30(15-5-1)37-28-42-44(36-21-11-13-23-41(36)50-42)45-43(37)35-20-10-12-22-40(35)49(45)34-26-24-32(25-27-34)39-29-38(31-16-6-2-7-17-31)47-46(48-39)33-18-8-3-9-19-33;1-4-14-30(15-5-1)37-28-38-35-20-10-12-22-41(35)49(44(38)43-36-21-11-13-23-42(36)50-45(37)43)34-26-24-32(25-27-34)40-29-39(31-16-6-2-7-17-31)47-46(48-40)33-18-8-3-9-19-33/h2*1-32H;2*1-29H.
What are the key properties of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole?
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 2801.50 g/mol, XLogP of 53.30, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenyl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 160673598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).