2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine

C156H84N12O4S6 — CID 161052949

About 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine

2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 161052949) has the molecular formula C156H84N12O4S6 and a molecular weight of 2382.87 g/mol. Its IUPAC name is 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 161052949
• Molecular Formula: C156H84N12O4S6
• Molecular Weight: 2382.87 g/mol
• Exact Mass: 2380.51
• IUPAC Name: 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc2c(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4c3oc3ccccc34)cccc2c1.c1ccc2c(c1)oc1c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc12.c1ccc2c(c1)oc1c(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc12.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4c3oc3ccccc34)ccc2c1
• InChI: InChI=1S/2C40H21N3OS2.2C38H21N3OS/c1-5-16-30-22(10-1)28-21-35-29(24-12-4-7-18-33(24)45-35)20-31(28)43(30)40-41-36-26-13-2-6-17-32(26)44-38(36)37(42-40)27-15-9-14-25-23-11-3-8-19-34(23)46-39(25)27;1-5-13-30-23(9-1)27-21-36-29(25-11-4-8-16-34(25)46-36)20-31(27)43(30)40-41-37(39-38(42-40)26-12-2-6-14-32(26)44-39)22-17-18-35-28(19-22)24-10-3-7-15-33(24)45-35;1-2-12-23-22(10-1)11-9-16-26(23)35-37-36(27-15-4-7-18-32(27)42-37)40-38(39-35)41-30-17-6-3-13-24(30)28-21-34-29(20-31(28)41)25-14-5-8-19-33(25)43-34;1-2-10-23-19-24(18-17-22(23)9-1)35-37-36(27-13-4-7-15-32(27)42-37)40-38(39-35)41-30-14-6-3-11-25(30)28-21-34-29(20-31(28)41)26-12-5-8-16-33(26)43-34/h2*1-21H;2*1-21H
• InChIKey: UCJLIQADNRCAES-UHFFFAOYSA-N
• XLogP: 45.07
• TPSA: 175.40 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.87
LogP ≤ 5	45.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine (CID 161052949) is 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4c3oc3ccccc34)cccc2c1.c1ccc2c(c1)oc1c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc12.c1ccc2c(c1)oc1c(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc12.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4c3oc3ccccc34)ccc2c1.

What is the InChIKey of 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is UCJLIQADNRCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H21N3OS2.2C38H21N3OS/c1-5-16-30-22(10-1)28-21-35-29(24-12-4-7-18-33(24)45-35)20-31(28)43(30)40-41-36-26-13-2-6-17-32(26)44-38(36)37(42-40)27-15-9-14-25-23-11-3-8-19-34(23)46-39(25)27;1-5-13-30-23(9-1)27-21-36-29(25-11-4-8-16-34(25)46-36)20-31(27)43(30)40-41-37(39-38(42-40)26-12-2-6-14-32(26)44-39)22-17-18-35-28(19-22)24-10-3-7-15-33(24)45-35;1-2-12-23-22(10-1)11-9-16-26(23)35-37-36(27-15-4-7-18-32(27)42-37)40-38(39-35)41-30-17-6-3-13-24(30)28-21-34-29(20-31(28)41)25-14-5-8-19-33(25)43-34;1-2-10-23-19-24(18-17-22(23)9-1)35-37-36(27-13-4-7-15-32(27)42-37)40-38(39-35)41-30-14-6-3-11-25(30)28-21-34-29(20-31(28)41)26-12-5-8-16-33(26)43-34/h2*1-21H;2*1-21H.

What are the key properties of 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine?

2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2382.87 g/mol, XLogP of 45.07, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 161052949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).