2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole

C168H102N18OS4 — CID 163930880

IUPAC2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C58H38N6S.C55H32N6OS.C55H32N6S2/c1-58(2)45-27-15-12-24-39(45)42-34-49-43(33-46(42)58)40-25-13-16-28-47(40)64(49)48-31-30-38(56-59-51(35-18-6-3-7-19-35)53-52(60-56)41-26-14-17-29-50(41)65-53)32-44(48)57-62-54(36-20-8-4-9-21-36)61-55(63-57)37-22-10-5-11-23-37;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-48(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-47-41(31-45(40)61)38-23-11-14-26-46(38)62-47;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-47(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-48-41(31-45(40)61)38-23-11-14-26-46(38)62-48/h3-34H,1-2H3;2*1-32H
InChIKeyRIOYULUFMYHRJI-UHFFFAOYSA-N
MW2517.06 g/mol
LogP43.96
Rot. Bonds18

About 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole

2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 163930880) has the molecular formula C168H102N18OS4 and a molecular weight of 2517.06 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID163930880
Molecular FormulaC168H102N18OS4
Molecular Weight2517.06 g/mol
Exact Mass2514.74
IUPAC Name2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C58H38N6S.C55H32N6OS.C55H32N6S2/c1-58(2)45-27-15-12-24-39(45)42-34-49-43(33-46(42)58)40-25-13-16-28-47(40)64(49)48-31-30-38(56-59-51(35-18-6-3-7-19-35)53-52(60-56)41-26-14-17-29-50(41)65-53)32-44(48)57-62-54(36-20-8-4-9-21-36)61-55(63-57)37-22-10-5-11-23-37;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-48(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-47-41(31-45(40)61)38-23-11-14-26-46(38)62-47;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-47(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-48-41(31-45(40)61)38-23-11-14-26-46(38)62-48/h3-34H,1-2H3;2*1-32H
InChIKeyRIOYULUFMYHRJI-UHFFFAOYSA-N
XLogP43.96
TPSA221.28 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002517.06
LogP ≤ 543.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

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Related Compounds

2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 147613320
11-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 161432875
11-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 163480042
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 161081174
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333901
11-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 163809594
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
11-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[2-(4,6-diphenyl-2-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;11-[2-(2,6-diphenyl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163671898
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 162780993
11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzofuro[3,2-b]carbazole
CID 164730323
2-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 162781009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole (CID 163930880) is 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5sc6ccccc6c5n4)ccc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1.
What is the InChIKey of 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is RIOYULUFMYHRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N6S.C55H32N6OS.C55H32N6S2/c1-58(2)45-27-15-12-24-39(45)42-34-49-43(33-46(42)58)40-25-13-16-28-47(40)64(49)48-31-30-38(56-59-51(35-18-6-3-7-19-35)53-52(60-56)41-26-14-17-29-50(41)65-53)32-44(48)57-62-54(36-20-8-4-9-21-36)61-55(63-57)37-22-10-5-11-23-37;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-48(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-47-41(31-45(40)61)38-23-11-14-26-46(38)62-47;1-4-16-33(17-5-1)49-51-50(39-24-12-15-27-47(39)63-51)57-54(56-49)36-28-29-44(42(30-36)55-59-52(34-18-6-2-7-19-34)58-53(60-55)35-20-8-3-9-21-35)61-43-25-13-10-22-37(43)40-32-48-41(31-45(40)61)38-23-11-14-26-46(38)62-48/h3-34H,1-2H3;2*1-32H.
What are the key properties of 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 2517.06 g/mol, XLogP of 43.96, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 163930880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).