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

C120H69N9S6 — CID 165088953

IUPAC11-(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
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)ccc4c3n2)cc1
InChIInChI=1S/3C40H23N3S2/c1-3-11-24(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)43-31-17-9-7-16-29(31)35-32(43)22-21-28-27-15-8-10-18-33(27)44-38(28)35;1-3-11-24(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)30-23-36-31(22-33(30)43)28-16-8-10-18-34(28)44-36;1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(23-34(29)45-39)43-30-17-9-7-15-27(30)35-31(43)21-22-33-36(35)28-16-8-10-18-32(28)44-33/h3*1-23H
InChIKeyWJKFNNNMPFIPBR-UHFFFAOYSA-N
MW1829.34 g/mol
LogP34.93
Rot. Bonds9

About 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

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 (PubChem CID 165088953) has the molecular formula C120H69N9S6 and a molecular weight of 1829.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-(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
PubChem CID165088953
Molecular FormulaC120H69N9S6
Molecular Weight1829.34 g/mol
Exact Mass1827.40
IUPAC Name11-(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
SMILESc1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)ccc4c3n2)cc1
InChIInChI=1S/3C40H23N3S2/c1-3-11-24(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)43-31-17-9-7-16-29(31)35-32(43)22-21-28-27-15-8-10-18-33(27)44-38(28)35;1-3-11-24(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)30-23-36-31(22-33(30)43)28-16-8-10-18-34(28)44-36;1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(23-34(29)45-39)43-30-17-9-7-15-27(30)35-31(43)21-22-33-36(35)28-16-8-10-18-32(28)44-33/h3*1-23H
InChIKeyWJKFNNNMPFIPBR-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 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 with MolForge

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Related Compounds

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
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
8-(3-carbazol-9-ylcarbazol-9-yl)-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146606246
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
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164730465
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-phenylcarbazol-9-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163444187
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
17-carbazol-9-yl-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 162477807
2,4-diphenyl-8-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550977
4-phenyl-2-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 130333899
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7c(ccc65)sc5ccccc57)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4cc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)ccc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is WJKFNNNMPFIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H23N3S2/c1-3-11-24(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)43-31-17-9-7-16-29(31)35-32(43)22-21-28-27-15-8-10-18-33(27)44-38(28)35;1-3-11-24(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)30-23-36-31(22-33(30)43)28-16-8-10-18-34(28)44-36;1-3-11-24(12-4-1)37-39-38(42-40(41-37)25-13-5-2-6-14-25)29-20-19-26(23-34(29)45-39)43-30-17-9-7-15-27(30)35-31(43)21-22-33-36(35)28-16-8-10-18-32(28)44-33/h3*1-23H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 165088953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).