9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

C174H110N20S — CID 158390546

IUPAC9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C46H30N4.C45H28N4S.C44H28N6.C39H24N6/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-29(13-4-1)30-22-24-32(25-23-30)44-46-43(31-14-5-2-6-15-31)47-45(48-44)33-16-11-17-34(28-33)49-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)50-42(38)41(37)49;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-30H;2*1-28H;1-24H
InChIKeyGWXIAFBNYNPVFN-UHFFFAOYSA-N
MW2513.00 g/mol
LogP43.30
Rot. Bonds18

About 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 158390546) has the molecular formula C174H110N20S and a molecular weight of 2513.00 g/mol. Its IUPAC name is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID158390546
Molecular FormulaC174H110N20S
Molecular Weight2513.00 g/mol
Exact Mass2510.89
IUPAC Name9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C46H30N4.C45H28N4S.C44H28N6.C39H24N6/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-29(13-4-1)30-22-24-32(25-23-30)44-46-43(31-14-5-2-6-15-31)47-45(48-44)33-16-11-17-34(28-33)49-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)50-42(38)41(37)49;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-30H;2*1-28H;1-24H
InChIKeyGWXIAFBNYNPVFN-UHFFFAOYSA-N
XLogP43.30
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002513.00
LogP ≤ 543.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118503313
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141969
12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 159887916
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 167613892
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole
CID 155006720
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-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (CID 158390546) is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is GWXIAFBNYNPVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C45H28N4S.C44H28N6.C39H24N6/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-29-34(25-27-45(39)50)33-24-26-44-38(28-33)36-20-10-12-22-42(36)49(44)35-18-8-3-9-19-35;1-3-12-29(13-4-1)30-22-24-32(25-23-30)44-46-43(31-14-5-2-6-15-31)47-45(48-44)33-16-11-17-34(28-33)49-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)50-42(38)41(37)49;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-35-33-20-10-12-22-37(33)49(39(35)27-40(36)50)32-18-8-3-9-19-32;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-30H;2*1-28H;1-24H.
What are the key properties of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2513.00 g/mol, XLogP of 43.30, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 158390546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).