5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile

C36H19N3O — CID 148669790

IUPAC5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3oc4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4c3c2)c1
InChIInChI=1S/C36H19N3O/c37-20-22-14-23(21-38)16-27(15-22)26-12-13-34-30(18-26)36-32(10-5-11-35(36)40-34)39-31-9-4-3-8-28(31)29-17-24-6-1-2-7-25(24)19-33(29)39/h1-19H
InChIKeyNPMBGLJGAPPJBA-UHFFFAOYSA-N
MW509.57 g/mol
LogP9.25
Rot. Bonds2

About 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile

5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 148669790) has the molecular formula C36H19N3O and a molecular weight of 509.57 g/mol. Its IUPAC name is 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile
PubChem CID148669790
Molecular FormulaC36H19N3O
Molecular Weight509.57 g/mol
Exact Mass509.15
IUPAC Name5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3oc4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4c3c2)c1
InChIInChI=1S/C36H19N3O/c37-20-22-14-23(21-38)16-27(15-22)26-12-13-34-30(18-26)36-32(10-5-11-35(36)40-34)39-31-9-4-3-8-28(31)29-17-24-6-1-2-7-25(24)19-33(29)39/h1-19H
InChIKeyNPMBGLJGAPPJBA-UHFFFAOYSA-N
XLogP9.25
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
CID 163457193
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
2-carbazol-9-yl-4-[3-cyano-5-(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)phenyl]benzonitrile
CID 129299811
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163845474

Frequently Asked Questions

What is the IUPAC name of 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile (CID 148669790) is 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3oc4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4c3c2)c1.
What is the InChIKey of 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is NPMBGLJGAPPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N3O/c37-20-22-14-23(21-38)16-27(15-22)26-12-13-34-30(18-26)36-32(10-5-11-35(36)40-34)39-31-9-4-3-8-28(31)29-17-24-6-1-2-7-25(24)19-33(29)39/h1-19H.
What are the key properties of 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile?
5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 509.57 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 148669790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).