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

C45H28N4OS — CID 137227552

IUPAC7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc4c3sc3ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-25-34-31-18-8-11-21-39(31)50-40(34)26-38(33)49/h1-26,43H,(H,46,47,48)
InChIKeyVEUUYOMBGVIYAD-UHFFFAOYSA-N
MW672.81 g/mol
LogP11.55
Rot. Bonds4

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

7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 137227552) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID137227552
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc4c3sc3ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-25-34-31-18-8-11-21-39(31)50-40(34)26-38(33)49/h1-26,43H,(H,46,47,48)
InChIKeyVEUUYOMBGVIYAD-UHFFFAOYSA-N
XLogP11.55
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664369
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
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327299
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
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
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 129225740
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
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole (CID 137227552) is 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(C2=NC(c3cc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc4c3sc3ccccc34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is VEUUYOMBGVIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-25-34-31-18-8-11-21-39(31)50-40(34)26-38(33)49/h1-26,43H,(H,46,47,48).
What are the key properties of 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 672.81 g/mol, XLogP of 11.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 137227552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).