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

C139H85N11S3 — CID 157100592

IUPAC5-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3S.2C46H28N4S/c1-3-13-30(14-4-1)32-27-39(31-15-5-2-6-16-31)48-45(28-32)50-40-20-10-7-17-34(40)35-24-23-33(29-43(35)50)49-41-21-11-8-19-38(41)46-42(49)26-25-37-36-18-9-12-22-44(36)51-47(37)46;1-3-13-29(14-4-1)37-28-38(30-15-5-2-6-16-30)48-46(47-37)50-39-20-10-7-17-32(39)33-24-23-31(27-42(33)50)49-40-21-11-8-19-36(40)44-41(49)26-25-35-34-18-9-12-22-43(34)51-45(35)44;1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-15-5-2-6-16-30)50-38-20-10-7-17-32(38)33-24-23-31(27-41(33)50)49-39-21-11-8-19-36(39)44-40(49)26-25-35-34-18-9-12-22-42(34)51-45(35)44/h1-29H;2*1-28H
InChIKeyAFSJKTULRAYAEY-UHFFFAOYSA-N
MW2005.49 g/mol
LogP37.72
Rot. Bonds12

About 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

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 (PubChem CID 157100592) has the molecular formula C139H85N11S3 and a molecular weight of 2005.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID157100592
Molecular FormulaC139H85N11S3
Molecular Weight2005.49 g/mol
Exact Mass2003.62
IUPAC Name5-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3S.2C46H28N4S/c1-3-13-30(14-4-1)32-27-39(31-15-5-2-6-16-31)48-45(28-32)50-40-20-10-7-17-34(40)35-24-23-33(29-43(35)50)49-41-21-11-8-19-38(41)46-42(49)26-25-37-36-18-9-12-22-44(36)51-47(37)46;1-3-13-29(14-4-1)37-28-38(30-15-5-2-6-16-30)48-46(47-37)50-39-20-10-7-17-32(39)33-24-23-31(27-42(33)50)49-40-21-11-8-19-36(40)44-41(49)26-25-35-34-18-9-12-22-43(34)51-45(35)44;1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-15-5-2-6-16-30)50-38-20-10-7-17-32(38)33-24-23-31(27-41(33)50)49-39-21-11-8-19-36(39)44-40(49)26-25-35-34-18-9-12-22-42(34)51-45(35)44/h1-29H;2*1-28H
InChIKeyAFSJKTULRAYAEY-UHFFFAOYSA-N
XLogP37.72
TPSA94.03 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.49
LogP ≤ 537.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
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
2-phenyl-6-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]thieno[3,2-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]thieno[3,2-c]carbazole
CID 160528946
9-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158042486
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 157141281
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-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 159539371
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-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 157399979
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;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 161289745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is AFSJKTULRAYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S.2C46H28N4S/c1-3-13-30(14-4-1)32-27-39(31-15-5-2-6-16-31)48-45(28-32)50-40-20-10-7-17-34(40)35-24-23-33(29-43(35)50)49-41-21-11-8-19-38(41)46-42(49)26-25-37-36-18-9-12-22-44(36)51-47(37)46;1-3-13-29(14-4-1)37-28-38(30-15-5-2-6-16-30)48-46(47-37)50-39-20-10-7-17-32(39)33-24-23-31(27-42(33)50)49-40-21-11-8-19-36(40)44-41(49)26-25-35-34-18-9-12-22-43(34)51-45(35)44;1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-15-5-2-6-16-30)50-38-20-10-7-17-32(38)33-24-23-31(27-41(33)50)49-39-21-11-8-19-36(39)44-40(49)26-25-35-34-18-9-12-22-42(34)51-45(35)44/h1-29H;2*1-28H.
What are the key properties of 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?
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 has a molecular weight of 2005.49 g/mol, XLogP of 37.72, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157100592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).