2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile

C60H20N12O — CID 135252734

IUPAC2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2cc(-c3ccc4c(c3)oc3cc(-c5cc(-c6c(C#N)cc(C#N)cc6C#N)cc(-c6c(C#N)cc(C#N)cc6C#N)c5)ccc34)cc(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1
InChIInChI=1S/C60H20N12O/c61-21-33-5-45(25-65)57(46(6-33)26-66)41-13-39(14-42(17-41)58-47(27-67)7-34(22-62)8-48(58)28-68)37-1-3-53-54-4-2-38(20-56(54)73-55(53)19-37)40-15-43(59-49(29-69)9-35(23-63)10-50(59)30-70)18-44(16-40)60-51(31-71)11-36(24-64)12-52(60)32-72/h1-20H
InChIKeyXNPDXMLQECTYDD-UHFFFAOYSA-N
MW924.90 g/mol
LogP12.05
Rot. Bonds6

About 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile

2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile (PubChem CID 135252734) has the molecular formula C60H20N12O and a molecular weight of 924.90 g/mol. Its IUPAC name is 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
PubChem CID135252734
Molecular FormulaC60H20N12O
Molecular Weight924.90 g/mol
Exact Mass924.19
IUPAC Name2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2cc(-c3ccc4c(c3)oc3cc(-c5cc(-c6c(C#N)cc(C#N)cc6C#N)cc(-c6c(C#N)cc(C#N)cc6C#N)c5)ccc34)cc(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1
InChIInChI=1S/C60H20N12O/c61-21-33-5-45(25-65)57(46(6-33)26-66)41-13-39(14-42(17-41)58-47(27-67)7-34(22-62)8-48(58)28-68)37-1-3-53-54-4-2-38(20-56(54)73-55(53)19-37)40-15-43(59-49(29-69)9-35(23-63)10-50(59)30-70)18-44(16-40)60-51(31-71)11-36(24-64)12-52(60)32-72/h1-20H
InChIKeyXNPDXMLQECTYDD-UHFFFAOYSA-N
XLogP12.05
TPSA298.62 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.90
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile with MolForge

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Related Compounds

4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354641
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
CID 166569769
CID 166569769
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
CID 118397843
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
CID 126496826
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-[3,5-bis(7-cyanodibenzofuran-3-yl)phenyl]-1,3-benzothiazole-6-carbonitrile
CID 167017394

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile (CID 135252734) is 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2cc(-c3ccc4c(c3)oc3cc(-c5cc(-c6c(C#N)cc(C#N)cc6C#N)cc(-c6c(C#N)cc(C#N)cc6C#N)c5)ccc34)cc(-c3c(C#N)cc(C#N)cc3C#N)c2)c(C#N)c1.
What is the InChIKey of 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
The InChIKey is XNPDXMLQECTYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H20N12O/c61-21-33-5-45(25-65)57(46(6-33)26-66)41-13-39(14-42(17-41)58-47(27-67)7-34(22-62)8-48(58)28-68)37-1-3-53-54-4-2-38(20-56(54)73-55(53)19-37)40-15-43(59-49(29-69)9-35(23-63)10-50(59)30-70)18-44(16-40)60-51(31-71)11-36(24-64)12-52(60)32-72/h1-20H.
What are the key properties of 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile?
2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile has a molecular weight of 924.90 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 135252734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).