3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole

C136H80N12S4 — CID 158761971

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3ccc4c(c3)sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3cccc4c3sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1
InChIInChI=1S/2C68H40N6S2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)56-35-43(46-29-17-30-49-54-36-59-52(38-61(54)75-64(46)49)47-27-13-15-33-57(47)73(59)44-23-9-3-10-24-44)40-69-63(56)51-32-18-31-50-55-37-60-53(39-62(55)76-65(50)51)48-28-14-16-34-58(48)74(60)45-25-11-4-12-26-45;1-5-17-41(18-6-1)66-70-67(42-19-7-2-8-20-42)72-68(71-66)56-33-45(43-29-31-50-54-36-59-52(38-63(54)75-61(50)34-43)48-25-13-15-27-57(48)73(59)46-21-9-3-10-22-46)40-69-65(56)44-30-32-51-55-37-60-53(39-64(55)76-62(51)35-44)49-26-14-16-28-58(49)74(60)47-23-11-4-12-24-47/h2*1-40H
InChIKeyIOUAVTPEEBEVQB-UHFFFAOYSA-N
MW2010.49 g/mol
LogP37.06
Rot. Bonds14

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 158761971) has the molecular formula C136H80N12S4 and a molecular weight of 2010.49 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID158761971
Molecular FormulaC136H80N12S4
Molecular Weight2010.49 g/mol
Exact Mass2008.55
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3ccc4c(c3)sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3cccc4c3sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1
InChIInChI=1S/2C68H40N6S2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)56-35-43(46-29-17-30-49-54-36-59-52(38-61(54)75-64(46)49)47-27-13-15-33-57(47)73(59)44-23-9-3-10-24-44)40-69-63(56)51-32-18-31-50-55-37-60-53(39-62(55)76-65(50)51)48-28-14-16-34-58(48)74(60)45-25-11-4-12-26-45;1-5-17-41(18-6-1)66-70-67(42-19-7-2-8-20-42)72-68(71-66)56-33-45(43-29-31-50-54-36-59-52(38-63(54)75-61(50)34-43)48-25-13-15-27-57(48)73(59)46-21-9-3-10-22-46)40-69-65(56)44-30-32-51-55-37-60-53(39-64(55)76-62(51)35-44)49-26-14-16-28-58(49)74(60)47-23-11-4-12-24-47/h2*1-40H
InChIKeyIOUAVTPEEBEVQB-UHFFFAOYSA-N
XLogP37.06
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002010.49
LogP ≤ 537.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole with MolForge

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 165012128
3-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;4-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;4-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161104107
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158325699
1-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 161110331
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 165102369
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153091594
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601872
4-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153460032
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 152906302
9-phenyl-2-[2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]carbazole
CID 170192315
14-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)-2-pyridinyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-2-pyridinyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 158348694
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167401432

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 158761971) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3ccc4c(c3)sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)cnc3-c3cccc4c3sc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is IOUAVTPEEBEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H40N6S2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)56-35-43(46-29-17-30-49-54-36-59-52(38-61(54)75-64(46)49)47-27-13-15-33-57(47)73(59)44-23-9-3-10-24-44)40-69-63(56)51-32-18-31-50-55-37-60-53(39-62(55)76-65(50)51)48-28-14-16-34-58(48)74(60)45-25-11-4-12-26-45;1-5-17-41(18-6-1)66-70-67(42-19-7-2-8-20-42)72-68(71-66)56-33-45(43-29-31-50-54-36-59-52(38-63(54)75-61(50)34-43)48-25-13-15-27-57(48)73(59)46-21-9-3-10-22-46)40-69-65(56)44-30-32-51-55-37-60-53(39-64(55)76-62(51)35-44)49-26-14-16-28-58(49)74(60)47-23-11-4-12-24-47/h2*1-40H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 2010.49 g/mol, XLogP of 37.06, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-3-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-4-yl)-2-pyridinyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 158761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).