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

C62H60F2N4O — CID 172534052

IUPAC2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C62H60F2N4O/c1-38(2)52-31-41(40-27-44(63)34-45(64)28-40)32-53(39(3)4)60(52)67-37-66(56-19-13-14-20-57(56)67)46-29-42(49-24-22-43(61(5,6)7)33-54(49)62(8,9)10)30-48(35-46)69-47-23-25-51-50-17-11-12-18-55(50)68(58(51)36-47)59-21-15-16-26-65-59/h11-36,38-39H,37H2,1-10H3
InChIKeyHKYKDKMWTSHHBJ-UHFFFAOYSA-N
MW915.18 g/mol
LogP17.67
Rot. Bonds9

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

2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534052) has the molecular formula C62H60F2N4O and a molecular weight of 915.18 g/mol. Its IUPAC name is 2-[3-(2,4-ditert-butylphenyl)-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 Name2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID172534052
Molecular FormulaC62H60F2N4O
Molecular Weight915.18 g/mol
Exact Mass914.47
IUPAC Name2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C62H60F2N4O/c1-38(2)52-31-41(40-27-44(63)34-45(64)28-40)32-53(39(3)4)60(52)67-37-66(56-19-13-14-20-57(56)67)46-29-42(49-24-22-43(61(5,6)7)33-54(49)62(8,9)10)30-48(35-46)69-47-23-25-51-50-17-11-12-18-55(50)68(58(51)36-47)59-21-15-16-26-65-59/h11-36,38-39H,37H2,1-10H3
InChIKeyHKYKDKMWTSHHBJ-UHFFFAOYSA-N
XLogP17.67
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.18
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172533865
2-[3-(2-tert-butylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172534091
2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530590
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
2-[3-[3-[4-tert-butyl-2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531543
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
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
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172531668
2-[3-tert-butyl-5-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172534377
2-[3-[3-[2-tert-butyl-6-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531395
2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530624

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-ditert-butylphenyl)-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-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 172534052) is 2-[3-(2,4-ditert-butylphenyl)-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-(2,4-ditert-butylphenyl)-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-(2,4-ditert-butylphenyl)-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(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2)c2ccccc21.
What is the InChIKey of 2-[3-(2,4-ditert-butylphenyl)-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 HKYKDKMWTSHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60F2N4O/c1-38(2)52-31-41(40-27-44(63)34-45(64)28-40)32-53(39(3)4)60(52)67-37-66(56-19-13-14-20-57(56)67)46-29-42(49-24-22-43(61(5,6)7)33-54(49)62(8,9)10)30-48(35-46)69-47-23-25-51-50-17-11-12-18-55(50)68(58(51)36-47)59-21-15-16-26-65-59/h11-36,38-39H,37H2,1-10H3.
What are the key properties of 2-[3-(2,4-ditert-butylphenyl)-5-[3-[4-(3,5-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-(2,4-ditert-butylphenyl)-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 915.18 g/mol, XLogP of 17.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-ditert-butylphenyl)-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 172534052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).