2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole

C43H30F2N4 — CID 163629017

IUPAC2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole
SMILESFC(F)(c1cc(-c2ccccc2)cc(N2CN(c3ccccc3)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C43H30F2N4/c44-43(45,32-22-23-37-36-17-7-8-18-38(36)49(41(37)28-32)42-21-11-12-24-46-42)33-25-31(30-13-3-1-4-14-30)26-35(27-33)48-29-47(34-15-5-2-6-16-34)39-19-9-10-20-40(39)48/h1-28H,29H2
InChIKeyQTYFIBZFGMSZIF-UHFFFAOYSA-N
MW640.74 g/mol
LogP11.23
Rot. Bonds6

About 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole

2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole (PubChem CID 163629017) has the molecular formula C43H30F2N4 and a molecular weight of 640.74 g/mol. Its IUPAC name is 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole
PubChem CID163629017
Molecular FormulaC43H30F2N4
Molecular Weight640.74 g/mol
Exact Mass640.24
IUPAC Name2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole
SMILESFC(F)(c1cc(-c2ccccc2)cc(N2CN(c3ccccc3)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C43H30F2N4/c44-43(45,32-22-23-37-36-17-7-8-18-38(36)49(41(37)28-32)42-21-11-12-24-46-42)33-25-31(30-13-3-1-4-14-30)26-35(27-33)48-29-47(34-15-5-2-6-16-34)39-19-9-10-20-40(39)48/h1-28H,29H2
InChIKeyQTYFIBZFGMSZIF-UHFFFAOYSA-N
XLogP11.23
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.74
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651337
2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-difluoromethyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]carbazole
CID 163822722
2-[[3-tert-butyl-5-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-difluoromethyl]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 163538548
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
CID 176645144
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 167399451
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]phenyl]pyrido[2,3-b]indole
CID 155650771
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 162177244
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole (CID 163629017) is 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole is FC(F)(c1cc(-c2ccccc2)cc(N2CN(c3ccccc3)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1.
What is the InChIKey of 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole?
The InChIKey is QTYFIBZFGMSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30F2N4/c44-43(45,32-22-23-37-36-17-7-8-18-38(36)49(41(37)28-32)42-21-11-12-24-46-42)33-25-31(30-13-3-1-4-14-30)26-35(27-33)48-29-47(34-15-5-2-6-16-34)39-19-9-10-20-40(39)48/h1-28H,29H2.
What are the key properties of 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole?
2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole has a molecular weight of 640.74 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 163629017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).