3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile

C85H44N4O5 — CID 139441514

IUPAC3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C85H44N4O5/c86-45-61-75(46-33-41-73-59(43-46)51-20-7-12-28-68(51)90-73)80(87-62-25-9-1-22-56(62)77-65(87)38-35-53-48-17-4-14-30-70(48)92-83(53)77)82(89-64-27-11-3-24-58(64)79-67(89)40-37-55-50-19-6-16-32-72(50)94-85(55)79)81(76(61)47-34-42-74-60(44-47)52-21-8-13-29-69(52)91-74)88-63-26-10-2-23-57(63)78-66(88)39-36-54-49-18-5-15-31-71(49)93-84(54)78/h1-44H
InChIKeyGLRKORODPLCJAM-UHFFFAOYSA-N
MW1201.31 g/mol
LogP23.68
Rot. Bonds5

About 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile

3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile (PubChem CID 139441514) has the molecular formula C85H44N4O5 and a molecular weight of 1201.31 g/mol. Its IUPAC name is 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
PubChem CID139441514
Molecular FormulaC85H44N4O5
Molecular Weight1201.31 g/mol
Exact Mass1200.33
IUPAC Name3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C85H44N4O5/c86-45-61-75(46-33-41-73-59(43-46)51-20-7-12-28-68(51)90-73)80(87-62-25-9-1-22-56(62)77-65(87)38-35-53-48-17-4-14-30-70(48)92-83(53)77)82(89-64-27-11-3-24-58(64)79-67(89)40-37-55-50-19-6-16-32-72(50)94-85(55)79)81(76(61)47-34-42-74-60(44-47)52-21-8-13-29-69(52)91-74)88-63-26-10-2-23-57(63)78-66(88)39-36-54-49-18-5-15-31-71(49)93-84(54)78/h1-44H
InChIKeyGLRKORODPLCJAM-UHFFFAOYSA-N
XLogP23.68
TPSA104.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.31
LogP ≤ 523.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-14-yl)benzene-1,3-dicarbonitrile
CID 146562447
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
CID 154989339
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
CID 174169927
CID 174169927
2,6-di(carbazol-9-yl)-3,5-bis(4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-4-phenylbenzonitrile
CID 170001407
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
3,6-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324543
2,5-di(carbazol-9-yl)-4,6-di(dibenzofuran-3-yl)benzene-1,3-dicarbonitrile
CID 164819680
2,6-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153462388
3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(carbazol-9-yl)-4-methylbenzonitrile
CID 170001456
2,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyano-6-pyridin-4-ylbenzonitrile
CID 166057147
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile?
The IUPAC name of 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile (CID 139441514) is 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile.
What is the SMILES notation for 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile?
The canonical SMILES for 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile is N#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile?
The InChIKey is GLRKORODPLCJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H44N4O5/c86-45-61-75(46-33-41-73-59(43-46)51-20-7-12-28-68(51)90-73)80(87-62-25-9-1-22-56(62)77-65(87)38-35-53-48-17-4-14-30-70(48)92-83(53)77)82(89-64-27-11-3-24-58(64)79-67(89)40-37-55-50-19-6-16-32-72(50)94-85(55)79)81(76(61)47-34-42-74-60(44-47)52-21-8-13-29-69(52)91-74)88-63-26-10-2-23-57(63)78-66(88)39-36-54-49-18-5-15-31-71(49)93-84(54)78/h1-44H.
What are the key properties of 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile?
3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile has a molecular weight of 1201.31 g/mol, XLogP of 23.68, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile is sourced from PubChem (CID 139441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).