12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C152H98N14S3 — CID 159827960

IUPAC12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H33N3.C39H24N4S.C34H21N3S.C33H20N4S/c1-46(2)39-18-10-9-17-35(39)36-26-27-37-38-29-32(25-28-41(38)48(44(37)43(36)46)33-13-5-3-6-14-33)30-21-23-31(24-22-30)45-47-40-19-11-12-20-42(40)49(45)34-15-7-4-8-16-34;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35;1-3-11-22(12-4-1)32-29(21-35-34(36-32)23-13-5-2-6-14-23)37-27-17-9-7-16-26(27)31-28(37)20-19-25-24-15-8-10-18-30(24)38-33(25)31;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37/h3-29H,1-2H3;1-24H;1-21H;1-20H
InChIKeyNNBXTSYDEJQROD-UHFFFAOYSA-N
MW2216.75 g/mol
LogP40.05
Rot. Bonds14

About 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 159827960) has the molecular formula C152H98N14S3 and a molecular weight of 2216.75 g/mol. Its IUPAC name is 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID159827960
Molecular FormulaC152H98N14S3
Molecular Weight2216.75 g/mol
Exact Mass2214.73
IUPAC Name12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H33N3.C39H24N4S.C34H21N3S.C33H20N4S/c1-46(2)39-18-10-9-17-35(39)36-26-27-37-38-29-32(25-28-41(38)48(44(37)43(36)46)33-13-5-3-6-14-33)30-21-23-31(24-22-30)45-47-40-19-11-12-20-42(40)49(45)34-15-7-4-8-16-34;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35;1-3-11-22(12-4-1)32-29(21-35-34(36-32)23-13-5-2-6-14-23)37-27-17-9-7-16-26(27)31-28(37)20-19-25-24-15-8-10-18-30(24)38-33(25)31;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37/h3-29H,1-2H3;1-24H;1-21H;1-20H
InChIKeyNNBXTSYDEJQROD-UHFFFAOYSA-N
XLogP40.05
TPSA140.66 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002216.75
LogP ≤ 540.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole
CID 165067702
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
12-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 163676528
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158627834
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 157050001
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
3-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9,9-dimethylfluoren-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118503314
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-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-phenyl-14-(4-phenylquinazolin-2-yl)-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 159551431

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 159827960) is 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc4n(-c4ccccc4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is NNBXTSYDEJQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3.C39H24N4S.C34H21N3S.C33H20N4S/c1-46(2)39-18-10-9-17-35(39)36-26-27-37-38-29-32(25-28-41(38)48(44(37)43(36)46)33-13-5-3-6-14-33)30-21-23-31(24-22-30)45-47-40-19-11-12-20-42(40)49(45)34-15-7-4-8-16-34;1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-32-17-9-7-16-31(32)35-33(43)24-23-30-29-15-8-10-18-34(29)44-36(30)35;1-3-11-22(12-4-1)32-29(21-35-34(36-32)23-13-5-2-6-14-23)37-27-17-9-7-16-26(27)31-28(37)20-19-25-24-15-8-10-18-30(24)38-33(25)31;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37/h3-29H,1-2H3;1-24H;1-21H;1-20H.
What are the key properties of 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2216.75 g/mol, XLogP of 40.05, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole;5-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 159827960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).