12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

C143H91N15S4 — CID 159033679

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(C3NC(n4c5ccccc5c5cc6sc7ccccc7c6cc54)Nc4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C39H24N4S.C38H27N3S.2C33H20N4S/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36;1-2-11-24(12-3-1)25-13-10-14-26(21-25)37-29-17-4-7-18-32(29)39-38(40-37)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36;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)25-20-30-26(19-28(25)37)24-16-8-10-18-29(24)38-30;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/h1-24H;1-23,37-40H;2*1-20H
InChIKeyJVERSWBCMPSXBE-UHFFFAOYSA-N
MW2147.67 g/mol
LogP37.77
Rot. Bonds13

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 159033679) has the molecular formula C143H91N15S4 and a molecular weight of 2147.67 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID159033679
Molecular FormulaC143H91N15S4
Molecular Weight2147.67 g/mol
Exact Mass2145.65
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(C3NC(n4c5ccccc5c5cc6sc7ccccc7c6cc54)Nc4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C39H24N4S.C38H27N3S.2C33H20N4S/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36;1-2-11-24(12-3-1)25-13-10-14-26(21-25)37-29-17-4-7-18-32(29)39-38(40-37)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36;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)25-20-30-26(19-28(25)37)24-16-8-10-18-29(24)38-30;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/h1-24H;1-23,37-40H;2*1-20H
InChIKeyJVERSWBCMPSXBE-UHFFFAOYSA-N
XLogP37.77
TPSA159.79 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.67
LogP ≤ 537.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole with MolForge

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Related Compounds

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
4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
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
3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729495
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
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
12-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156554624
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 163428513
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (CID 159033679) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cccc(C3NC(n4c5ccccc5c5cc6sc7ccccc7c6cc54)Nc4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is JVERSWBCMPSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4S.C38H27N3S.2C33H20N4S/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-33-17-9-7-15-29(33)31-24-36-32(23-34(31)43)30-16-8-10-18-35(30)44-36;1-2-11-24(12-3-1)25-13-10-14-26(21-25)37-29-17-4-7-18-32(29)39-38(40-37)41-33-19-8-5-15-27(33)30-23-36-31(22-34(30)41)28-16-6-9-20-35(28)42-36;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)25-20-30-26(19-28(25)37)24-16-8-10-18-29(24)38-30;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/h1-24H;1-23,37-40H;2*1-20H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 2147.67 g/mol, XLogP of 37.77, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 159033679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).