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

C46H25N5O2 — CID 155159419

IUPAC4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C46H25N5O2/c47-26-29-25-35(46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28)39-34-19-9-12-22-38(34)53-43(39)40(29)51-36-20-10-7-17-30(36)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51/h1-25H
InChIKeyUTGORUHXBRXTLC-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-3-carbonitrile

4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 155159419) 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-3-carbonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
PubChem CID155159419
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-3-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C46H25N5O2/c47-26-29-25-35(46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28)39-34-19-9-12-22-38(34)53-43(39)40(29)51-36-20-10-7-17-30(36)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51/h1-25H
InChIKeyUTGORUHXBRXTLC-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

4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159407
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(5-cyano-2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 170253811
4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzonitrile
CID 126627638
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzofuran-2-carbonitrile
CID 155159425
5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377913
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
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-18-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957382
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 161013324

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-3-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-3-carbonitrile (CID 155159419) is 4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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-3-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-3-carbonitrile is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
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-3-carbonitrile?
The InChIKey is UTGORUHXBRXTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25N5O2/c47-26-29-25-35(46-49-44(27-13-3-1-4-14-27)48-45(50-46)28-15-5-2-6-16-28)39-34-19-9-12-22-38(34)53-43(39)40(29)51-36-20-10-7-17-30(36)32-23-24-33-31-18-8-11-21-37(31)52-42(33)41(32)51/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-3-carbonitrile?
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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-3-carbonitrile is sourced from PubChem (CID 155159419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).