2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile

C56H30N4O2 — CID 154989339

IUPAC2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C56H30N4O2/c57-31-43-54(34-26-28-52-42(30-34)40-18-6-12-24-50(40)62-52)56(60-47-21-9-3-15-37(47)38-16-4-10-22-48(38)60)44(32-58)53(33-25-27-51-41(29-33)39-17-5-11-23-49(39)61-51)55(43)59-45-19-7-1-13-35(45)36-14-2-8-20-46(36)59/h1-30H
InChIKeyXIUDWNZOBLSMHK-UHFFFAOYSA-N
MW790.88 g/mol
LogP14.76
Rot. Bonds4

About 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile

2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile (PubChem CID 154989339) has the molecular formula C56H30N4O2 and a molecular weight of 790.88 g/mol. Its IUPAC name is 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
PubChem CID154989339
Molecular FormulaC56H30N4O2
Molecular Weight790.88 g/mol
Exact Mass790.24
IUPAC Name2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C56H30N4O2/c57-31-43-54(34-26-28-52-42(30-34)40-18-6-12-24-50(40)62-52)56(60-47-21-9-3-15-37(47)38-16-4-10-22-48(38)60)44(32-58)53(33-25-27-51-41(29-33)39-17-5-11-23-49(39)61-51)55(43)59-45-19-7-1-13-35(45)36-14-2-8-20-46(36)59/h1-30H
InChIKeyXIUDWNZOBLSMHK-UHFFFAOYSA-N
XLogP14.76
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.88
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-di(carbazol-9-yl)-4,6-di(dibenzofuran-3-yl)benzene-1,3-dicarbonitrile
CID 164819680
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146562137
3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
CID 139441514
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
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-([1]benzothiolo[3,2-a]carbazol-12-yl)-4,6-di(carbazol-9-yl)-5-dibenzofuran-2-ylbenzene-1,3-dicarbonitrile
CID 146562148
2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
CID 146580324
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-1-yl)benzene-1,4-dicarbonitrile
CID 164819616
16-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7,9,11,14(31),15,17,20,22,24,26,28,30(32)-pentadecaene-15,17-dicarbonitrile
CID 162774115
2,5-di(carbazol-9-yl)-3,6-bis(4-methylphenyl)benzene-1,4-dicarbonitrile
CID 147058731
2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146562431
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960

Frequently Asked Questions

What is the IUPAC name of 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile (CID 154989339) is 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile is N#Cc1c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-c2ccc3oc4ccccc4c3c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile?
The InChIKey is XIUDWNZOBLSMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N4O2/c57-31-43-54(34-26-28-52-42(30-34)40-18-6-12-24-50(40)62-52)56(60-47-21-9-3-15-37(47)38-16-4-10-22-48(38)60)44(32-58)53(33-25-27-51-41(29-33)39-17-5-11-23-49(39)61-51)55(43)59-45-19-7-1-13-35(45)36-14-2-8-20-46(36)59/h1-30H.
What are the key properties of 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile?
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile has a molecular weight of 790.88 g/mol, XLogP of 14.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 154989339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).