2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole

C50H36F2N4O — CID 172534222

IUPAC2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccc(F)cc3F)c3ccccc32)c1
InChIInChI=1S/C50H36F2N4O/c1-32-24-35(34-12-4-3-5-13-34)25-33(2)50(32)36-26-38(54-31-55(47-17-9-8-16-46(47)54)45-22-19-37(51)28-43(45)52)29-40(27-36)57-39-20-21-42-41-14-6-7-15-44(41)56(48(42)30-39)49-18-10-11-23-53-49/h3-30H,31H2,1-2H3
InChIKeyVZNTZXUVNCYHHN-UHFFFAOYSA-N
MW746.86 g/mol
LogP13.45
Rot. Bonds7

About 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534222) has the molecular formula C50H36F2N4O and a molecular weight of 746.86 g/mol. Its IUPAC name is 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID172534222
Molecular FormulaC50H36F2N4O
Molecular Weight746.86 g/mol
Exact Mass746.29
IUPAC Name2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccc(F)cc3F)c3ccccc32)c1
InChIInChI=1S/C50H36F2N4O/c1-32-24-35(34-12-4-3-5-13-34)25-33(2)50(32)36-26-38(54-31-55(47-17-9-8-16-46(47)54)45-22-19-37(51)28-43(45)52)29-40(27-36)57-39-20-21-42-41-14-6-7-15-44(41)56(48(42)30-39)49-18-10-11-23-53-49/h3-30H,31H2,1-2H3
InChIKeyVZNTZXUVNCYHHN-UHFFFAOYSA-N
XLogP13.45
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172533939
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534157
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172530270
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172533980
2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172534411
2-[3-[3-(2-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-isocyanophenyl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 172534036
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-methylphenyl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172534034
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
2-[3-(3-tert-butylphenyl)-5-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172533850
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530491
2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172534146

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole (CID 172534222) is 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2CN(c3ccc(F)cc3F)c3ccccc32)c1.
What is the InChIKey of 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is VZNTZXUVNCYHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36F2N4O/c1-32-24-35(34-12-4-3-5-13-34)25-33(2)50(32)36-26-38(54-31-55(47-17-9-8-16-46(47)54)45-22-19-37(51)28-43(45)52)29-40(27-36)57-39-20-21-42-41-14-6-7-15-44(41)56(48(42)30-39)49-18-10-11-23-53-49/h3-30H,31H2,1-2H3.
What are the key properties of 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 746.86 g/mol, XLogP of 13.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172534222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).