6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile

C62H34N4O2 — CID 167006192

IUPAC6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6cccc(C#N)c65)c(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c2c1
InChIInChI=1S/C62H34N4O2/c63-35-37-20-25-45-50-32-39(22-27-56(50)65(57(45)30-37)53-16-5-1-11-43(53)40-23-28-60-51(33-40)46-13-3-7-18-58(46)67-60)38-21-26-55(66-54-17-6-2-12-44(54)48-15-9-10-42(36-64)62(48)66)49(31-38)41-24-29-61-52(34-41)47-14-4-8-19-59(47)68-61/h1-34H
InChIKeyCDGNFKIPYDFBHB-UHFFFAOYSA-N
MW866.98 g/mol
LogP16.42
Rot. Bonds5

About 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile

6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile (PubChem CID 167006192) has the molecular formula C62H34N4O2 and a molecular weight of 866.98 g/mol. Its IUPAC name is 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
PubChem CID167006192
Molecular FormulaC62H34N4O2
Molecular Weight866.98 g/mol
Exact Mass866.27
IUPAC Name6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6cccc(C#N)c65)c(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c2c1
InChIInChI=1S/C62H34N4O2/c63-35-37-20-25-45-50-32-39(22-27-56(50)65(57(45)30-37)53-16-5-1-11-43(53)40-23-28-60-51(33-40)46-13-3-7-18-58(46)67-60)38-21-26-55(66-54-17-6-2-12-44(54)48-15-9-10-42(36-64)62(48)66)49(31-38)41-24-29-61-52(34-41)47-14-4-8-19-59(47)68-61/h1-34H
InChIKeyCDGNFKIPYDFBHB-UHFFFAOYSA-N
XLogP16.42
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.98
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
CID 159772841
2-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-2-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-2-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-2-ylbenzonitrile
CID 158041549
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-6-cyanophenyl]dibenzofuran-2-carbonitrile;2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile;3-([1]benzofuro[2,3-a]carbazol-12-yl)-4-dibenzofuran-2-ylbenzonitrile;8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzofuran-2-carbonitrile
CID 160750863
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
2-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-2-dibenzofuran-3-ylbenzonitrile;3-carbazol-9-yl-4-dibenzofuran-3-ylbenzonitrile;4-carbazol-9-yl-3-dibenzofuran-3-ylbenzonitrile
CID 161435826
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile?
The IUPAC name of 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile (CID 167006192) is 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile.
What is the SMILES notation for 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile?
The canonical SMILES for 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile is N#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6cccc(C#N)c65)c(-c5ccc6oc7ccccc7c6c5)c4)ccc3n(-c3ccccc3-c3ccc4oc5ccccc5c4c3)c2c1.
What is the InChIKey of 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile?
The InChIKey is CDGNFKIPYDFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34N4O2/c63-35-37-20-25-45-50-32-39(22-27-56(50)65(57(45)30-37)53-16-5-1-11-43(53)40-23-28-60-51(33-40)46-13-3-7-18-58(46)67-60)38-21-26-55(66-54-17-6-2-12-44(54)48-15-9-10-42(36-64)62(48)66)49(31-38)41-24-29-61-52(34-41)47-14-4-8-19-59(47)68-61/h1-34H.
What are the key properties of 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile?
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile has a molecular weight of 866.98 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile is sourced from PubChem (CID 167006192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).