9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C79H68N4O — CID 177303457

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C79H68N4O/c1-76(2,3)52-40-41-80-74(46-52)83-70-33-17-13-27-64(70)65-39-37-57(48-73(65)83)84-56-23-20-22-55(47-56)81-49-82(72-35-19-18-34-71(72)81)75-58(28-21-29-59(75)51-42-53(77(4,5)6)45-54(43-51)78(7,8)9)50-36-38-63-62-26-12-16-32-68(62)79(69(63)44-50)66-30-14-10-24-60(66)61-25-11-15-31-67(61)79/h10-48H,49H2,1-9H3
InChIKeyCFZZZJKYFOOVDN-UHFFFAOYSA-N
MW1089.44 g/mol
LogP20.79
Rot. Bonds7

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 177303457) has the molecular formula C79H68N4O and a molecular weight of 1089.44 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID177303457
Molecular FormulaC79H68N4O
Molecular Weight1089.44 g/mol
Exact Mass1088.54
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C79H68N4O/c1-76(2,3)52-40-41-80-74(46-52)83-70-33-17-13-27-64(70)65-39-37-57(48-73(65)83)84-56-23-20-22-55(47-56)81-49-82(72-35-19-18-34-71(72)81)75-58(28-21-29-59(75)51-42-53(77(4,5)6)45-54(43-51)78(7,8)9)50-36-38-63-62-26-12-16-32-68(62)79(69(63)44-50)66-30-14-10-24-60(66)61-25-11-15-31-67(61)79/h10-48H,49H2,1-9H3
InChIKeyCFZZZJKYFOOVDN-UHFFFAOYSA-N
XLogP20.79
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.44
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756717
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
2-[3-[3-[4-[2-tert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172545696
6-[3-[3-[2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]
CID 177066871
2-[3-[1-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782165
2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082941
2-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-9,9-dimethylfluoren-4-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 169065966
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176784251
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709
2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 176784106
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 177303457) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1cc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is CFZZZJKYFOOVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H68N4O/c1-76(2,3)52-40-41-80-74(46-52)83-70-33-17-13-27-64(70)65-39-37-57(48-73(65)83)84-56-23-20-22-55(47-56)81-49-82(72-35-19-18-34-71(72)81)75-58(28-21-29-59(75)51-42-53(77(4,5)6)45-54(43-51)78(7,8)9)50-36-38-63-62-26-12-16-32-68(62)79(69(63)44-50)66-30-14-10-24-60(66)61-25-11-15-31-67(61)79/h10-48H,49H2,1-9H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 1089.44 g/mol, XLogP of 20.79, 7 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-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 177303457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).