9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole

C51H34N4O2 — CID 166962024

IUPAC9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
SMILESC1=c2oc3cccc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1
InChIInChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54)
InChIKeyYNBAOSZLOMJXPX-UHFFFAOYSA-N
MW734.86 g/mol
LogP10.82
Rot. Bonds5

About 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole

9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole (PubChem CID 166962024) has the molecular formula C51H34N4O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
PubChem CID166962024
Molecular FormulaC51H34N4O2
Molecular Weight734.86 g/mol
Exact Mass734.27
IUPAC Name9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
SMILESC1=c2oc3cccc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1
InChIInChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54)
InChIKeyYNBAOSZLOMJXPX-UHFFFAOYSA-N
XLogP10.82
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 510.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole with MolForge

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Related Compounds

9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962503
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 166962859
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
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
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474715
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
21-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 136982523
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038

Frequently Asked Questions

What is the IUPAC name of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole (CID 166962024) is 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole is C1=c2oc3cccc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1.
What is the InChIKey of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is YNBAOSZLOMJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54).
What are the key properties of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole?
9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 734.86 g/mol, XLogP of 10.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 166962024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).