7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole

C33H22N4O — CID 163775773

IUPAC7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3ccccc35)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C33H22N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-26-24-16-8-10-18-29(24)38-30(26)20-28(25)37/h1-20,33H,(H,34,35,36)
InChIKeyMKHZJAZMPMATEA-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.65
Rot. Bonds3

About 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole

7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 163775773) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID163775773
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3ccccc35)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C33H22N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-26-24-16-8-10-18-29(24)38-30(26)20-28(25)37/h1-20,33H,(H,34,35,36)
InChIKeyMKHZJAZMPMATEA-UHFFFAOYSA-N
XLogP7.65
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 118312871
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
CID 142405077
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 155028598
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 118449317
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole (CID 163775773) is 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3ccccc35)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MKHZJAZMPMATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-26-24-16-8-10-18-29(24)38-30(26)20-28(25)37/h1-20,33H,(H,34,35,36).
What are the key properties of 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole?
7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 490.57 g/mol, XLogP of 7.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).