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

C60H47FN4OS — CID 172534190

IUPAC2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(-c2ccccc2F)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cccc4c3sc3ccccc34)c2)c2ccccc21
InChIInChI=1S/C60H47FN4OS/c1-37(2)50-32-40(44-16-5-8-21-52(44)61)33-51(38(3)4)59(50)64-36-63(54-23-10-11-24-55(54)64)41-30-39(45-19-15-20-49-48-18-7-12-25-57(48)67-60(45)49)31-43(34-41)66-42-27-28-47-46-17-6-9-22-53(46)65(56(47)35-42)58-26-13-14-29-62-58/h5-35,37-38H,36H2,1-4H3
InChIKeyUNAHHBHTUAWVRB-UHFFFAOYSA-N
MW891.13 g/mol
LogP17.31
Rot. Bonds9

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

2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534190) has the molecular formula C60H47FN4OS and a molecular weight of 891.13 g/mol. Its IUPAC name is 2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID172534190
Molecular FormulaC60H47FN4OS
Molecular Weight891.13 g/mol
Exact Mass890.35
IUPAC Name2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(-c2ccccc2F)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3cccc4c3sc3ccccc34)c2)c2ccccc21
InChIInChI=1S/C60H47FN4OS/c1-37(2)50-32-40(44-16-5-8-21-52(44)61)33-51(38(3)4)59(50)64-36-63(54-23-10-11-24-55(54)64)41-30-39(45-19-15-20-49-48-18-7-12-25-57(48)67-60(45)49)31-43(34-41)66-42-27-28-47-46-17-6-9-22-53(46)65(56(47)35-42)58-26-13-14-29-62-58/h5-35,37-38H,36H2,1-4H3
InChIKeyUNAHHBHTUAWVRB-UHFFFAOYSA-N
XLogP17.31
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-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-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 172534190) is 2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is CC(C)c1cc(-c2ccccc2F)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-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is UNAHHBHTUAWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47FN4OS/c1-37(2)50-32-40(44-16-5-8-21-52(44)61)33-51(38(3)4)59(50)64-36-63(54-23-10-11-24-55(54)64)41-30-39(45-19-15-20-49-48-18-7-12-25-57(48)67-60(45)49)31-43(34-41)66-42-27-28-47-46-17-6-9-22-53(46)65(56(47)35-42)58-26-13-14-29-62-58/h5-35,37-38H,36H2,1-4H3.
What are the key properties of 2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-dibenzothiophen-4-yl-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 891.13 g/mol, XLogP of 17.31, 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-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172534190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).