9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile

C55H32N4O — CID 134343534

IUPAC9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C55H32N4O/c56-33-34-22-25-51-43(28-34)44-29-36(35-12-2-1-3-13-35)23-26-52(44)57(51)37-24-27-54-45(30-37)46-31-38(58-47-18-8-4-14-39(47)40-15-5-9-19-48(40)58)32-53(55(46)60-54)59-49-20-10-6-16-41(49)42-17-7-11-21-50(42)59/h1-32H
InChIKeyQNJHSPCZEQVHII-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.42
Rot. Bonds4

About 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile

9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile (PubChem CID 134343534) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
PubChem CID134343534
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C55H32N4O/c56-33-34-22-25-51-43(28-34)44-29-36(35-12-2-1-3-13-35)23-26-52(44)57(51)37-24-27-54-45(30-37)46-31-38(58-47-18-8-4-14-39(47)40-15-5-9-19-48(40)58)32-53(55(46)60-54)59-49-20-10-6-16-41(49)42-17-7-11-21-50(42)59/h1-32H
InChIKeyQNJHSPCZEQVHII-UHFFFAOYSA-N
XLogP14.42
TPSA51.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651

Frequently Asked Questions

What is the IUPAC name of 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile?
The IUPAC name of 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile (CID 134343534) is 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile?
The InChIKey is QNJHSPCZEQVHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c56-33-34-22-25-51-43(28-34)44-29-36(35-12-2-1-3-13-35)23-26-52(44)57(51)37-24-27-54-45(30-37)46-31-38(58-47-18-8-4-14-39(47)40-15-5-9-19-48(40)58)32-53(55(46)60-54)59-49-20-10-6-16-41(49)42-17-7-11-21-50(42)59/h1-32H.
What are the key properties of 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile?
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile has a molecular weight of 764.89 g/mol, XLogP of 14.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 134343534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).