12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole

C120H69N9S6 — CID 165101586

IUPAC12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)ccc4c3n2)cc1
InChIInChI=1S/3C40H23N3S2/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-35(29)45-39)43-32-17-9-7-15-27(32)30-22-31-28-16-8-10-18-34(28)44-36(31)23-33(30)43;1-3-11-24(12-4-1)36-39-37(42-40(41-36)25-13-5-2-6-14-25)30-20-19-26(23-34(30)45-39)43-31-17-9-7-15-27(31)28-21-22-33-35(38(28)43)29-16-8-10-18-32(29)44-33;1-3-11-24(12-4-1)35-39-36(42-40(41-35)25-13-5-2-6-14-25)31-20-19-26(23-34(31)45-39)43-32-17-9-7-15-27(32)29-21-22-30-28-16-8-10-18-33(28)44-38(30)37(29)43/h3*1-23H
InChIKeyYKODKTWJMZCQKR-UHFFFAOYSA-N
MW1829.34 g/mol
LogP34.93
Rot. Bonds9

About 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole

12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 165101586) has the molecular formula C120H69N9S6 and a molecular weight of 1829.34 g/mol. Its IUPAC name is 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID165101586
Molecular FormulaC120H69N9S6
Molecular Weight1829.34 g/mol
Exact Mass1827.40
IUPAC Name12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)ccc4c3n2)cc1
InChIInChI=1S/3C40H23N3S2/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-35(29)45-39)43-32-17-9-7-15-27(32)30-22-31-28-16-8-10-18-34(28)44-36(31)23-33(30)43;1-3-11-24(12-4-1)36-39-37(42-40(41-36)25-13-5-2-6-14-25)30-20-19-26(23-34(30)45-39)43-31-17-9-7-15-27(31)28-21-22-33-35(38(28)43)29-16-8-10-18-32(29)44-33;1-3-11-24(12-4-1)35-39-36(42-40(41-35)25-13-5-2-6-14-25)31-20-19-26(23-34(31)45-39)43-32-17-9-7-15-27(32)29-21-22-30-28-16-8-10-18-33(28)44-38(30)37(29)43/h3*1-23H
InChIKeyYKODKTWJMZCQKR-UHFFFAOYSA-N
XLogP34.93
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.34
LogP ≤ 534.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

11-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-b]carbazole;5-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-c]carbazole;14-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-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 165088953
12-[3-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130333843
12-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 130333800
2,4-diphenyl-7-(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-nonaen-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 165085004
2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164730465
8-(3-carbazol-9-ylcarbazol-9-yl)-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146606246
4-phenyl-2-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 130333899
4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158207930
2-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978453
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-6-yl]carbazole
CID 146664398
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,24-dithia-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118301265
12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 129224804

Frequently Asked Questions

What is the IUPAC name of 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole (CID 165101586) is 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)ccc4c3n2)cc1.
What is the InChIKey of 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is YKODKTWJMZCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H23N3S2/c1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(21-35(29)45-39)43-32-17-9-7-15-27(32)30-22-31-28-16-8-10-18-34(28)44-36(31)23-33(30)43;1-3-11-24(12-4-1)36-39-37(42-40(41-36)25-13-5-2-6-14-25)30-20-19-26(23-34(30)45-39)43-31-17-9-7-15-27(31)28-21-22-33-35(38(28)43)29-16-8-10-18-32(29)44-33;1-3-11-24(12-4-1)35-39-36(42-40(41-35)25-13-5-2-6-14-25)31-20-19-26(23-34(31)45-39)43-32-17-9-7-15-27(32)29-21-22-30-28-16-8-10-18-33(28)44-38(30)37(29)43/h3*1-23H.
What are the key properties of 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole?
12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1829.34 g/mol, XLogP of 34.93, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-a]carbazole;12-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[3,2-a]carbazole;7-(2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidin-7-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 165101586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).