9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile

C38H20N4O — CID 118386470

IUPAC9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)27-5-1-3-7-33(27)41(35)25-11-15-37-31(19-25)32-20-26(12-16-38(32)43-37)42-34-8-4-2-6-28(34)30-18-24(22-40)10-14-36(30)42/h1-20H
InChIKeyOZRBXIDZLXILMC-UHFFFAOYSA-N
MW548.61 g/mol
LogP9.52
Rot. Bonds2

About 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile

9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile (PubChem CID 118386470) has the molecular formula C38H20N4O and a molecular weight of 548.61 g/mol. Its IUPAC name is 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
PubChem CID118386470
Molecular FormulaC38H20N4O
Molecular Weight548.61 g/mol
Exact Mass548.16
IUPAC Name9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1
InChIInChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)27-5-1-3-7-33(27)41(35)25-11-15-37-31(19-25)32-20-26(12-16-38(32)43-37)42-34-8-4-2-6-28(34)30-18-24(22-40)10-14-36(30)42/h1-20H
InChIKeyOZRBXIDZLXILMC-UHFFFAOYSA-N
XLogP9.52
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-[8-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
9-[8-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 140822958
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[8-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140822892

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile (CID 118386470) is 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1.
What is the InChIKey of 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
The InChIKey is OZRBXIDZLXILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)27-5-1-3-7-33(27)41(35)25-11-15-37-31(19-25)32-20-26(12-16-38(32)43-37)42-34-8-4-2-6-28(34)30-18-24(22-40)10-14-36(30)42/h1-20H.
What are the key properties of 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile?
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile has a molecular weight of 548.61 g/mol, XLogP of 9.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 118386470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).