5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile

C39H23N3O — CID 163457193

IUPAC5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Cc2ccccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C39H23N3O/c40-23-26-17-25(18-27(19-26)24-41)20-30-7-1-4-10-35(30)42-36-11-5-2-8-31(36)33-21-28(13-15-37(33)42)29-14-16-39-34(22-29)32-9-3-6-12-38(32)43-39/h1-19,21-22H,20H2
InChIKeyBLMHCDAGNCVKBL-UHFFFAOYSA-N
MW549.63 g/mol
LogP9.68
Rot. Bonds4

About 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile

5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile (PubChem CID 163457193) has the molecular formula C39H23N3O and a molecular weight of 549.63 g/mol. Its IUPAC name is 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
PubChem CID163457193
Molecular FormulaC39H23N3O
Molecular Weight549.63 g/mol
Exact Mass549.18
IUPAC Name5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Cc2ccccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C39H23N3O/c40-23-26-17-25(18-27(19-26)24-41)20-30-7-1-4-10-35(30)42-36-11-5-2-8-31(36)33-21-28(13-15-37(33)42)29-14-16-39-34(22-29)32-9-3-6-12-38(32)43-39/h1-19,21-22H,20H2
InChIKeyBLMHCDAGNCVKBL-UHFFFAOYSA-N
XLogP9.68
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
CID 171052174
5-(9-benzo[b]carbazol-5-yldibenzofuran-2-yl)benzene-1,3-dicarbonitrile
CID 148669790
8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile
CID 139566029
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121307193
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
2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
CID 159062536
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile (CID 163457193) is 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(Cc2ccccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile?
The InChIKey is BLMHCDAGNCVKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O/c40-23-26-17-25(18-27(19-26)24-41)20-30-7-1-4-10-35(30)42-36-11-5-2-8-31(36)33-21-28(13-15-37(33)42)29-14-16-39-34(22-29)32-9-3-6-12-38(32)43-39/h1-19,21-22H,20H2.
What are the key properties of 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile?
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile has a molecular weight of 549.63 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 163457193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).