5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

C201H123N17S4 — CID 157244604

IUPAC5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1
InChIInChI=1S/C53H33N3S.C52H32N4S.C51H31N5S.C45H27N5S/c1-3-14-34(15-4-1)45-32-39(33-46(54-45)35-16-5-2-6-17-35)56-47-23-10-7-20-40(47)44-31-37(26-28-49(44)56)36-18-13-19-38(30-36)55-48-24-11-8-22-43(48)52-50(55)29-27-42-41-21-9-12-25-51(41)57-53(42)52;1-3-14-33(15-4-1)43-32-49(54-52(53-43)34-16-5-2-6-17-34)56-44-23-10-7-20-38(44)42-31-36(26-28-46(42)56)35-18-13-19-37(30-35)55-45-24-11-8-22-41(45)50-47(55)29-27-40-39-21-9-12-25-48(39)57-51(40)50;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-23-10-7-20-37(42)41-31-35(26-28-44(41)56)34-18-13-19-36(30-34)55-43-24-11-8-22-40(43)47-45(55)29-27-39-38-21-9-12-25-46(38)57-48(39)47;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-36-20-10-7-17-31(36)32-24-23-30(27-39(32)50)49-37-21-11-8-19-35(37)41-38(49)26-25-34-33-18-9-12-22-40(33)51-42(34)41/h1-33H;1-32H;1-31H;1-27H
InChIKeyAVPKRKNVRYIPBU-UHFFFAOYSA-N
MW2904.58 g/mol
LogP53.89
Rot. Bonds19

About 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 157244604) has the molecular formula C201H123N17S4 and a molecular weight of 2904.58 g/mol. Its IUPAC name is 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID157244604
Molecular FormulaC201H123N17S4
Molecular Weight2904.58 g/mol
Exact Mass2901.90
IUPAC Name5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1
InChIInChI=1S/C53H33N3S.C52H32N4S.C51H31N5S.C45H27N5S/c1-3-14-34(15-4-1)45-32-39(33-46(54-45)35-16-5-2-6-17-35)56-47-23-10-7-20-40(47)44-31-37(26-28-49(44)56)36-18-13-19-38(30-36)55-48-24-11-8-22-43(48)52-50(55)29-27-42-41-21-9-12-25-51(41)57-53(42)52;1-3-14-33(15-4-1)43-32-49(54-52(53-43)34-16-5-2-6-17-34)56-44-23-10-7-20-38(44)42-31-36(26-28-46(42)56)35-18-13-19-37(30-35)55-45-24-11-8-22-41(45)50-47(55)29-27-40-39-21-9-12-25-48(39)57-51(40)50;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-23-10-7-20-37(42)41-31-35(26-28-44(41)56)34-18-13-19-36(30-34)55-43-24-11-8-22-40(43)47-45(55)29-27-39-38-21-9-12-25-46(38)57-48(39)47;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-36-20-10-7-17-31(36)32-24-23-30(27-39(32)50)49-37-21-11-8-19-35(37)41-38(49)26-25-34-33-18-9-12-22-40(33)51-42(34)41/h1-33H;1-32H;1-31H;1-27H
InChIKeyAVPKRKNVRYIPBU-UHFFFAOYSA-N
XLogP53.89
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.58
LogP ≤ 553.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 157100592
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 160758433
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
5-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(2,6-diphenyl-4-pyridinyl)-[1]benzothiolo[3,2-c]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-naphthalen-2-yl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 158293991
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
5-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 160766237
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429

Frequently Asked Questions

What is the IUPAC name of 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 157244604) is 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1.
What is the InChIKey of 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is AVPKRKNVRYIPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.C52H32N4S.C51H31N5S.C45H27N5S/c1-3-14-34(15-4-1)45-32-39(33-46(54-45)35-16-5-2-6-17-35)56-47-23-10-7-20-40(47)44-31-37(26-28-49(44)56)36-18-13-19-38(30-36)55-48-24-11-8-22-43(48)52-50(55)29-27-42-41-21-9-12-25-51(41)57-53(42)52;1-3-14-33(15-4-1)43-32-49(54-52(53-43)34-16-5-2-6-17-34)56-44-23-10-7-20-38(44)42-31-36(26-28-46(42)56)35-18-13-19-37(30-35)55-45-24-11-8-22-41(45)50-47(55)29-27-40-39-21-9-12-25-48(39)57-51(40)50;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-23-10-7-20-37(42)41-31-35(26-28-44(41)56)34-18-13-19-36(30-34)55-43-24-11-8-22-40(43)47-45(55)29-27-39-38-21-9-12-25-46(38)57-48(39)47;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-36-20-10-7-17-31(36)32-24-23-30(27-39(32)50)49-37-21-11-8-19-35(37)41-38(49)26-25-34-33-18-9-12-22-40(33)51-42(34)41/h1-33H;1-32H;1-31H;1-27H.
What are the key properties of 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2904.58 g/mol, XLogP of 53.89, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 157244604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).