4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

C46H25N5O2 — CID 155158759

IUPAC4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H25N5O2/c47-26-29-25-36(51-35-20-10-7-17-30(35)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51)43-40(34-19-9-12-22-38(34)53-43)39(29)46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28/h1-25H
InChIKeyBQWHXXIGXJNEDI-UHFFFAOYSA-N
MW679.74 g/mol
LogP11.64
Rot. Bonds4

About 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile

4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (PubChem CID 155158759) has the molecular formula C46H25N5O2 and a molecular weight of 679.74 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
PubChem CID155158759
Molecular FormulaC46H25N5O2
Molecular Weight679.74 g/mol
Exact Mass679.20
IUPAC Name4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H25N5O2/c47-26-29-25-36(51-35-20-10-7-17-30(35)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51)43-40(34-19-9-12-22-38(34)53-43)39(29)46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28/h1-25H
InChIKeyBQWHXXIGXJNEDI-UHFFFAOYSA-N
XLogP11.64
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159419
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155159726
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzonitrile
CID 126627638
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-carbonitrile
CID 155158816
1-(5-carbazol-9-yl-12-phenylindolo[2,3-a]carbazol-11-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159110
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(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)dibenzofuran-3-carbonitrile
CID 155159717
2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(5-cyano-2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 170253811
5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
CID 155158595
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The IUPAC name of 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile (CID 155158759) is 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile.
What is the SMILES notation for 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The canonical SMILES for 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
The InChIKey is BQWHXXIGXJNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25N5O2/c47-26-29-25-36(51-35-20-10-7-17-30(35)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51)43-40(34-19-9-12-22-38(34)53-43)39(29)46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28/h1-25H.
What are the key properties of 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile?
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile has a molecular weight of 679.74 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 155158759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).