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

C64H57FN4O — CID 172530491

IUPAC9-(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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3ccccc3-c3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C64H57FN4O/c1-41(2)55-35-45(43-17-9-8-10-18-43)36-56(42(3)4)63(55)46-33-49(67-40-68(60-24-16-15-23-59(60)67)57-21-13-11-19-52(57)44-25-27-48(65)28-26-44)38-51(34-46)70-50-29-30-54-53-20-12-14-22-58(53)69(61(54)39-50)62-37-47(31-32-66-62)64(5,6)7/h8-39,41-42H,40H2,1-7H3
InChIKeyAKRAONMIBMGFCW-UHFFFAOYSA-N
MW917.19 g/mol
LogP17.90
Rot. Bonds10

About 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

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 (PubChem CID 172530491) has the molecular formula C64H57FN4O and a molecular weight of 917.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID172530491
Molecular FormulaC64H57FN4O
Molecular Weight917.19 g/mol
Exact Mass916.45
IUPAC Name9-(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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3ccccc3-c3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C64H57FN4O/c1-41(2)55-35-45(43-17-9-8-10-18-43)36-56(42(3)4)63(55)46-33-49(67-40-68(60-24-16-15-23-59(60)67)57-21-13-11-19-52(57)44-25-27-48(65)28-26-44)38-51(34-46)70-50-29-30-54-53-20-12-14-22-58(53)69(61(54)39-50)62-37-47(31-32-66-62)64(5,6)7/h8-39,41-42H,40H2,1-7H3
InChIKeyAKRAONMIBMGFCW-UHFFFAOYSA-N
XLogP17.90
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.19
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530506
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]carbazole
CID 172531347
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(3,5-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530850
2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530800
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-[2,6-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-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172533980

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3ccccc3-c3ccc(F)cc3)c3ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is AKRAONMIBMGFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57FN4O/c1-41(2)55-35-45(43-17-9-8-10-18-43)36-56(42(3)4)63(55)46-33-49(67-40-68(60-24-16-15-23-59(60)67)57-21-13-11-19-52(57)44-25-27-48(65)28-26-44)38-51(34-46)70-50-29-30-54-53-20-12-14-22-58(53)69(61(54)39-50)62-37-47(31-32-66-62)64(5,6)7/h8-39,41-42H,40H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 917.19 g/mol, XLogP of 17.90, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172530491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).