2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

C60H46F2N4OS — CID 172533927

About 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172533927) has the molecular formula C60H46F2N4OS and a molecular weight of 909.12 g/mol. Its IUPAC name is 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
• PubChem CID: 172533927
• Molecular Formula: C60H46F2N4OS
• Molecular Weight: 909.12 g/mol
• Exact Mass: 908.34
• IUPAC Name: 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
• SMILES: CC(C)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cccc4c3sc3ccccc34)c2)c2ccccc21
• InChI: InChI=1S/C60H46F2N4OS/c1-36(2)51-30-39(38-26-41(61)32-42(62)27-38)31-52(37(3)4)59(51)65-35-64(54-19-8-9-20-55(54)65)43-28-40(46-16-13-17-50-49-15-6-10-21-57(49)68-60(46)50)29-45(33-43)67-44-23-24-48-47-14-5-7-18-53(47)66(56(48)34-44)58-22-11-12-25-63-58/h5-34,36-37H,35H2,1-4H3
• InChIKey: QMYNHKJACLGYSC-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.12
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 172533927) is 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is CC(C)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cccc4c3sc3ccccc34)c2)c2ccccc21.

What is the InChIKey of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?

The InChIKey is QMYNHKJACLGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46F2N4OS/c1-36(2)51-30-39(38-26-41(61)32-42(62)27-38)31-52(37(3)4)59(51)65-35-64(54-19-8-9-20-55(54)65)43-28-40(46-16-13-17-50-49-15-6-10-21-57(49)68-60(46)50)29-45(33-43)67-44-23-24-48-47-14-5-7-18-53(47)66(56(48)34-44)58-22-11-12-25-63-58/h5-34,36-37H,35H2,1-4H3.

What are the key properties of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?

2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 909.12 g/mol, XLogP of 17.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-dibenzothiophen-4-yl-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172533927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).