2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole

C40H28N4O — CID 165001762

IUPAC2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCc1c(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)ccc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12
InChIInChI=1S/C40H28N4O/c1-25-29(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)21-22-35-37(25)32-23-34-31(24-36(32)45-35)30-19-11-12-20-33(30)44(34)28-17-9-4-10-18-28/h2-24,38H,1H3,(H,41,42,43)
InChIKeyIIZLSEDPIKZGID-UHFFFAOYSA-N
MW580.69 g/mol
LogP9.49
Rot. Bonds4

About 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole

2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 165001762) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID165001762
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCc1c(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)ccc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12
InChIInChI=1S/C40H28N4O/c1-25-29(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)21-22-35-37(25)32-23-34-31(24-36(32)45-35)30-19-11-12-20-33(30)44(34)28-17-9-4-10-18-28/h2-24,38H,1H3,(H,41,42,43)
InChIKeyIIZLSEDPIKZGID-UHFFFAOYSA-N
XLogP9.49
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
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
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
7-phenyl-1-[4-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 148620176
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
5-[3-(6-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 155037880
2-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 165001762) is 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole is Cc1c(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)ccc2oc3cc4c5ccccc5n(-c5ccccc5)c4cc3c12.
What is the InChIKey of 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is IIZLSEDPIKZGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O/c1-25-29(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)21-22-35-37(25)32-23-34-31(24-36(32)45-35)30-19-11-12-20-33(30)44(34)28-17-9-4-10-18-28/h2-24,38H,1H3,(H,41,42,43).
What are the key properties of 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole?
2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 580.69 g/mol, XLogP of 9.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 165001762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).