4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile

C181H109N11O2 — CID 139368619

IUPAC4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4ccccc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21.N#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4cccnc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21
InChIInChI=1S/C91H55N5O.C90H54N6O/c92-56-71-88(93-72-46-18-13-36-65(72)82-61(41-23-50-76(82)93)57-28-5-1-6-29-57)90(95-74-48-20-15-38-67(74)84-63(43-25-52-78(84)95)59-32-9-3-10-33-59)87(70-45-27-55-81-86(70)69-40-17-22-54-80(69)97-81)91(96-75-49-21-16-39-68(75)85-64(44-26-53-79(85)96)60-34-11-4-12-35-60)89(71)94-73-47-19-14-37-66(73)83-62(42-24-51-77(83)94)58-30-7-2-8-31-58;91-55-69-87(93-70-44-17-13-35-64(70)80-60(39-21-48-74(80)93)56-27-5-1-6-28-56)89(95-72-46-19-15-37-66(72)82-62(41-23-50-76(82)95)58-31-9-3-10-32-58)85(68-43-25-52-78-84(68)86-79(97-78)53-26-54-92-86)90(96-73-47-20-16-38-67(73)83-63(42-24-51-77(83)96)59-33-11-4-12-34-59)88(69)94-71-45-18-14-36-65(71)81-61(40-22-49-75(81)94)57-29-7-2-8-30-57/h1-55H;1-54H
InChIKeyGHFBGBFKEIAAMT-UHFFFAOYSA-N
MW2469.94 g/mol
LogP47.76
Rot. Bonds18

About 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile

4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile (PubChem CID 139368619) has the molecular formula C181H109N11O2 and a molecular weight of 2469.94 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile
PubChem CID139368619
Molecular FormulaC181H109N11O2
Molecular Weight2469.94 g/mol
Exact Mass2467.88
IUPAC Name4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4ccccc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21.N#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4cccnc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21
InChIInChI=1S/C91H55N5O.C90H54N6O/c92-56-71-88(93-72-46-18-13-36-65(72)82-61(41-23-50-76(82)93)57-28-5-1-6-29-57)90(95-74-48-20-15-38-67(74)84-63(43-25-52-78(84)95)59-32-9-3-10-33-59)87(70-45-27-55-81-86(70)69-40-17-22-54-80(69)97-81)91(96-75-49-21-16-39-68(75)85-64(44-26-53-79(85)96)60-34-11-4-12-35-60)89(71)94-73-47-19-14-37-66(73)83-62(42-24-51-77(83)94)58-30-7-2-8-31-58;91-55-69-87(93-70-44-17-13-35-64(70)80-60(39-21-48-74(80)93)56-27-5-1-6-28-56)89(95-72-46-19-15-37-66(72)82-62(41-23-50-76(82)95)58-31-9-3-10-32-58)85(68-43-25-52-78-84(68)86-79(97-78)53-26-54-92-86)90(96-73-47-20-16-38-67(73)83-63(42-24-51-77(83)96)59-33-11-4-12-34-59)88(69)94-71-45-18-14-36-65(71)81-61(40-22-49-75(81)94)57-29-7-2-8-30-57/h1-55H;1-54H
InChIKeyGHFBGBFKEIAAMT-UHFFFAOYSA-N
XLogP47.76
TPSA126.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002469.94
LogP ≤ 547.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile (CID 139368619) is 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4ccccc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21.N#Cc1c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c(-c2cccc3oc4cccnc4c23)c(-n2c3ccccc3c3c(-c4ccccc4)cccc32)c1-n1c2ccccc2c2c(-c3ccccc3)cccc21.
What is the InChIKey of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is GHFBGBFKEIAAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55N5O.C90H54N6O/c92-56-71-88(93-72-46-18-13-36-65(72)82-61(41-23-50-76(82)93)57-28-5-1-6-29-57)90(95-74-48-20-15-38-67(74)84-63(43-25-52-78(84)95)59-32-9-3-10-33-59)87(70-45-27-55-81-86(70)69-40-17-22-54-80(69)97-81)91(96-75-49-21-16-39-68(75)85-64(44-26-53-79(85)96)60-34-11-4-12-35-60)89(71)94-73-47-19-14-37-66(73)83-62(42-24-51-77(83)94)58-30-7-2-8-31-58;91-55-69-87(93-70-44-17-13-35-64(70)80-60(39-21-48-74(80)93)56-27-5-1-6-28-56)89(95-72-46-19-15-37-66(72)82-62(41-23-50-76(82)95)58-31-9-3-10-32-58)85(68-43-25-52-78-84(68)86-79(97-78)53-26-54-92-86)90(96-73-47-20-16-38-67(73)83-63(42-24-51-77(83)96)59-33-11-4-12-34-59)88(69)94-71-45-18-14-36-65(71)81-61(40-22-49-75(81)94)57-29-7-2-8-30-57/h1-55H;1-54H.
What are the key properties of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile?
4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 2469.94 g/mol, XLogP of 47.76, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile;4-dibenzofuran-1-yl-2,3,5,6-tetrakis(4-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 139368619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).