11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole

C242H158N24S2 — CID 157158741

IUPAC11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5sc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccn6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N8.C42H30N4.C42H25NS.C38H24N6.C36H26N4.C36H23NS/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-29-30-38-36-26-14-16-28-40(36)56(42(38)41(37)55)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34;1-42(2)34-19-11-9-17-31(34)32-25-26-36-37(38(32)42)33-18-10-12-20-35(33)46(36)30-23-21-29(22-24-30)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-2-11-31-29(9-1)30-10-3-4-12-32(30)37-25-27(19-22-33(31)37)26-17-20-28(21-18-26)43-38-15-7-5-14-36(38)41-39(43)24-23-35-34-13-6-8-16-40(34)44-42(35)41;1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-32-20-10-8-18-28(32)30-23-22-29-27-17-7-9-19-31(27)43(34(29)35(30)44)33-21-11-12-24-39-33;1-36(2)28-19-11-9-17-25(28)26-21-22-30-31(32(26)36)27-18-10-12-20-29(27)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-3-10-24(11-4-1)26-14-9-15-28(22-26)37-32-20-18-27(25-12-5-2-6-13-25)23-31(32)35-33(37)21-19-30-29-16-7-8-17-34(29)38-36(30)35/h1-30H;3-26H,1-2H3;1-25H;1-24H;3-22H,1-2H3;1-23H
InChIKeyAMCVGTZONQBMCO-UHFFFAOYSA-N
MW3466.23 g/mol
LogP61.36
Rot. Bonds22

About 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole

11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 157158741) has the molecular formula C242H158N24S2 and a molecular weight of 3466.23 g/mol. Its IUPAC name is 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID157158741
Molecular FormulaC242H158N24S2
Molecular Weight3466.23 g/mol
Exact Mass3463.25
IUPAC Name11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5sc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccn6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N8.C42H30N4.C42H25NS.C38H24N6.C36H26N4.C36H23NS/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-29-30-38-36-26-14-16-28-40(36)56(42(38)41(37)55)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34;1-42(2)34-19-11-9-17-31(34)32-25-26-36-37(38(32)42)33-18-10-12-20-35(33)46(36)30-23-21-29(22-24-30)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-2-11-31-29(9-1)30-10-3-4-12-32(30)37-25-27(19-22-33(31)37)26-17-20-28(21-18-26)43-38-15-7-5-14-36(38)41-39(43)24-23-35-34-13-6-8-16-40(34)44-42(35)41;1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-32-20-10-8-18-28(32)30-23-22-29-27-17-7-9-19-31(27)43(34(29)35(30)44)33-21-11-12-24-39-33;1-36(2)28-19-11-9-17-25(28)26-21-22-30-31(32(26)36)27-18-10-12-20-29(27)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-3-10-24(11-4-1)26-14-9-15-28(22-26)37-32-20-18-27(25-12-5-2-6-13-25)23-31(32)35-33(37)21-19-30-29-16-7-8-17-34(29)38-36(30)35/h1-30H;3-26H,1-2H3;1-25H;1-24H;3-22H,1-2H3;1-23H
InChIKeyAMCVGTZONQBMCO-UHFFFAOYSA-N
XLogP61.36
TPSA245.68 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003466.23
LogP ≤ 561.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole (CID 157158741) is 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5sc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccn6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is AMCVGTZONQBMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N8.C42H30N4.C42H25NS.C38H24N6.C36H26N4.C36H23NS/c1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-29-30-38-36-26-14-16-28-40(36)56(42(38)41(37)55)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34;1-42(2)34-19-11-9-17-31(34)32-25-26-36-37(38(32)42)33-18-10-12-20-35(33)46(36)30-23-21-29(22-24-30)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28;1-2-11-31-29(9-1)30-10-3-4-12-32(30)37-25-27(19-22-33(31)37)26-17-20-28(21-18-26)43-38-15-7-5-14-36(38)41-39(43)24-23-35-34-13-6-8-16-40(34)44-42(35)41;1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-32-20-10-8-18-28(32)30-23-22-29-27-17-7-9-19-31(27)43(34(29)35(30)44)33-21-11-12-24-39-33;1-36(2)28-19-11-9-17-25(28)26-21-22-30-31(32(26)36)27-18-10-12-20-29(27)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-3-10-24(11-4-1)26-14-9-15-28(22-26)37-32-20-18-27(25-12-5-2-6-13-25)23-31(32)35-33(37)21-19-30-29-16-7-8-17-34(29)38-36(30)35/h1-30H;3-26H,1-2H3;1-25H;1-24H;3-22H,1-2H3;1-23H.
What are the key properties of 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole?
11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 3466.23 g/mol, XLogP of 61.36, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;2-phenyl-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 157158741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).