5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole

C136H90N18OS — CID 162014164

About 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 162014164) has the molecular formula C136H90N18OS and a molecular weight of 2024.41 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
• PubChem CID: 162014164
• Molecular Formula: C136H90N18OS
• Molecular Weight: 2024.41 g/mol
• Exact Mass: 2022.73
• IUPAC Name: 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ncccn2)cc(-c2ncccn2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.c1cnc(-c2cc(-c3ncccn3)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)nc1.c1cnc(-c2cc(-c3ncccn3)cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)nc1
• InChI: InChI=1S/C37H27N3.C35H25N5.C32H19N5O.C32H19N5S/c1-37(2)30-19-11-9-17-26(30)28-22-35-29(21-31(28)37)27-18-10-12-20-34(27)40(35)36-38-32(24-13-5-3-6-14-24)23-33(39-36)25-15-7-4-8-16-25;1-35(2)29-11-5-3-9-25(29)27-21-32-28(20-30(27)35)26-10-4-6-12-31(26)40(32)24-18-22(33-36-13-7-14-37-33)17-23(19-24)34-38-15-8-16-39-34;1-3-9-27-23(7-1)25-19-30-26(24-8-2-4-10-29(24)38-30)18-28(25)37(27)22-16-20(31-33-11-5-12-34-31)15-21(17-22)32-35-13-6-14-36-32;1-3-9-27-23(7-1)25-11-12-26-24-8-2-4-10-28(24)38-30(26)29(25)37(27)22-18-20(31-33-13-5-14-34-31)17-21(19-22)32-35-15-6-16-36-32/h3-23H,1-2H3;3-21H,1-2H3;2*1-19H
• InChIKey: YTWMPOQVWQNFPX-UHFFFAOYSA-N
• XLogP: 32.88
• TPSA: 213.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.41
LogP ≤ 5	32.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?

The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 162014164) is 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?

The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ncccn2)cc(-c2ncccn2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.c1cnc(-c2cc(-c3ncccn3)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)nc1.c1cnc(-c2cc(-c3ncccn3)cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)nc1.

What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?

The InChIKey is YTWMPOQVWQNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3.C35H25N5.C32H19N5O.C32H19N5S/c1-37(2)30-19-11-9-17-26(30)28-22-35-29(21-31(28)37)27-18-10-12-20-34(27)40(35)36-38-32(24-13-5-3-6-14-24)23-33(39-36)25-15-7-4-8-16-25;1-35(2)29-11-5-3-9-25(29)27-21-32-28(20-30(27)35)26-10-4-6-12-31(26)40(32)24-18-22(33-36-13-7-14-37-33)17-23(19-24)34-38-15-8-16-39-34;1-3-9-27-23(7-1)25-19-30-26(24-8-2-4-10-29(24)38-30)18-28(25)37(27)22-16-20(31-33-11-5-12-34-31)15-21(17-22)32-35-13-6-14-36-32;1-3-9-27-23(7-1)25-11-12-26-24-8-2-4-10-28(24)38-30(26)29(25)37(27)22-18-20(31-33-13-5-14-34-31)17-21(19-22)32-35-15-6-16-36-32/h3-23H,1-2H3;3-21H,1-2H3;2*1-19H.

What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole?

5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 2024.41 g/mol, XLogP of 32.88, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 162014164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).