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

C76H57N5O — CID 170677073

IUPAC3-[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
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7-c7ccccc7)cccc6-c6ccccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/C76H57N5O/c1-76(2,3)53-43-44-77-74(45-53)81-71-47-57(41-42-63(71)67-48-66-62-35-17-18-38-68(62)80(72(66)49-73(67)81)54-27-11-6-12-28-54)82-56-30-21-29-55(46-56)78-50-79(70-40-20-19-39-69(70)78)75-64(60-33-15-13-31-58(60)51-23-7-4-8-24-51)36-22-37-65(75)61-34-16-14-32-59(61)52-25-9-5-10-26-52/h4-49H,50H2,1-3H3
InChIKeyGZDQKUZPQSBWRX-UHFFFAOYSA-N
MW1056.33 g/mol
LogP20.28
Rot. Bonds10

About 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

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 (PubChem CID 170677073) has the molecular formula C76H57N5O and a molecular weight of 1056.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID170677073
Molecular FormulaC76H57N5O
Molecular Weight1056.33 g/mol
Exact Mass1055.46
IUPAC Name3-[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
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7-c7ccccc7)cccc6-c6ccccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/C76H57N5O/c1-76(2,3)53-43-44-77-74(45-53)81-71-47-57(41-42-63(71)67-48-66-62-35-17-18-38-68(62)80(72(66)49-73(67)81)54-27-11-6-12-28-54)82-56-30-21-29-55(46-56)78-50-79(70-40-20-19-39-69(70)78)75-64(60-33-15-13-31-58(60)51-23-7-4-8-24-51)36-22-37-65(75)61-34-16-14-32-59(61)52-25-9-5-10-26-52/h4-49H,50H2,1-3H3
InChIKeyGZDQKUZPQSBWRX-UHFFFAOYSA-N
XLogP20.28
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.33
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169024845
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031374
9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-(4-deuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749763
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
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-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7-c7ccccc7)cccc6-c6ccccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.
What is the InChIKey of 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?
The InChIKey is GZDQKUZPQSBWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H57N5O/c1-76(2,3)53-43-44-77-74(45-53)81-71-47-57(41-42-63(71)67-48-66-62-35-17-18-38-68(62)80(72(66)49-73(67)81)54-27-11-6-12-28-54)82-56-30-21-29-55(46-56)78-50-79(70-40-20-19-39-69(70)78)75-64(60-33-15-13-31-58(60)51-23-7-4-8-24-51)36-22-37-65(75)61-34-16-14-32-59(61)52-25-9-5-10-26-52/h4-49H,50H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1056.33 g/mol, XLogP of 20.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170677073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).