9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane

C29H22N4O — CID 145072049

IUPAC9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane
SMILESCC.c1ccc2c(c1)oc1ccc(-c3ncnc(-n4c5ccccc5c5ccccc54)n3)cc12
InChIInChI=1S/C27H16N4O.C2H6/c1-4-10-22-18(7-1)19-8-2-5-11-23(19)31(22)27-29-16-28-26(30-27)17-13-14-25-21(15-17)20-9-3-6-12-24(20)32-25;1-2/h1-16H;1-2H3
InChIKeyGGVUOPXAXSRCHS-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.56
Rot. Bonds2

About 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane

9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane (PubChem CID 145072049) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane.

Molecular Properties

Compound Name9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane
PubChem CID145072049
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC Name9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane
SMILESCC.c1ccc2c(c1)oc1ccc(-c3ncnc(-n4c5ccccc5c5ccccc54)n3)cc12
InChIInChI=1S/C27H16N4O.C2H6/c1-4-10-22-18(7-1)19-8-2-5-11-23(19)31(22)27-29-16-28-26(30-27)17-13-14-25-21(15-17)20-9-3-6-12-24(20)32-25;1-2/h1-16H;1-2H3
InChIKeyGGVUOPXAXSRCHS-UHFFFAOYSA-N
XLogP7.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 89433730
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
9-[4-(7-carbazol-9-yldibenzofuran-2-yl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]carbazole
CID 170371144
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane?
The IUPAC name of 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane (CID 145072049) is 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane.
What is the SMILES notation for 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane?
The canonical SMILES for 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane is CC.c1ccc2c(c1)oc1ccc(-c3ncnc(-n4c5ccccc5c5ccccc54)n3)cc12.
What is the InChIKey of 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane?
The InChIKey is GGVUOPXAXSRCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4O.C2H6/c1-4-10-22-18(7-1)19-8-2-5-11-23(19)31(22)27-29-16-28-26(30-27)17-13-14-25-21(15-17)20-9-3-6-12-24(20)32-25;1-2/h1-16H;1-2H3.
What are the key properties of 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane?
9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane has a molecular weight of 442.52 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane is sourced from PubChem (CID 145072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).