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

C168H105N15S3 — CID 165012128

IUPAC1-[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
SMILESc1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4ccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/3C56H35N5S/c1-5-17-36(18-6-1)39-23-15-24-40(31-39)41-32-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)53(57-35-41)44-28-16-30-50-52(44)46-33-49-45(34-51(46)62-50)43-27-13-14-29-48(43)61(49)42-25-11-4-12-26-42;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-50-46(34-52(47)62-51(45)32-41)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-32-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-51-46(31-41)47-33-50-45(34-52(47)62-51)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43/h3*1-35H
InChIKeyJWAIXILVGAWROI-UHFFFAOYSA-N
MW2429.99 g/mol
LogP44.20
Rot. Bonds21

About 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

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 (PubChem CID 165012128) has the molecular formula C168H105N15S3 and a molecular weight of 2429.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID165012128
Molecular FormulaC168H105N15S3
Molecular Weight2429.99 g/mol
Exact Mass2427.78
IUPAC Name1-[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
SMILESc1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4ccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/3C56H35N5S/c1-5-17-36(18-6-1)39-23-15-24-40(31-39)41-32-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)53(57-35-41)44-28-16-30-50-52(44)46-33-49-45(34-51(46)62-50)43-27-13-14-29-48(43)61(49)42-25-11-4-12-26-42;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-50-46(34-52(47)62-51(45)32-41)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-32-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-51-46(31-41)47-33-50-45(34-52(47)62-51)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43/h3*1-35H
InChIKeyJWAIXILVGAWROI-UHFFFAOYSA-N
XLogP44.20
TPSA169.47 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.99
LogP ≤ 544.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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
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
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
5-[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 153459816
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
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
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
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
2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 153460402
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;5-[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(8),4,6,11,15,17,19-nonaene
CID 161097943
1-[4-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459585
2-[4-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153460200

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)sc4cc6c7ccccc7n(-c7ccccc7)c6cc45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4ccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5sc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is JWAIXILVGAWROI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H35N5S/c1-5-17-36(18-6-1)39-23-15-24-40(31-39)41-32-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)53(57-35-41)44-28-16-30-50-52(44)46-33-49-45(34-51(46)62-50)43-27-13-14-29-48(43)61(49)42-25-11-4-12-26-42;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-50-46(34-52(47)62-51(45)32-41)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43;1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-32-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-51-46(31-41)47-33-50-45(34-52(47)62-51)44-26-13-14-27-49(44)61(50)43-24-11-4-12-25-43/h3*1-35H.
What are the key properties of 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?
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 has a molecular weight of 2429.99 g/mol, XLogP of 44.20, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).