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

C51H34N4O2 — CID 166962859

IUPAC9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
SMILESC1=c2oc3cc(-c4ccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)ccc3c2=CC(C2=NC(c3ccccc3)NC(c3ccccc3)=N2)C1
InChIInChI=1S/C51H34N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)35-24-27-45-40(29-35)38-25-22-34(30-47(38)56-45)33-23-26-46-41(28-33)39-18-11-21-44(48(39)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-23,25-30,35,49H,24H2,(H,52,53,54)
InChIKeyFSQRESLMLXVCLY-UHFFFAOYSA-N
MW734.86 g/mol
LogP10.82
Rot. Bonds5

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

9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole (PubChem CID 166962859) has the molecular formula C51H34N4O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
PubChem CID166962859
Molecular FormulaC51H34N4O2
Molecular Weight734.86 g/mol
Exact Mass734.27
IUPAC Name9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
SMILESC1=c2oc3cc(-c4ccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)ccc3c2=CC(C2=NC(c3ccccc3)NC(c3ccccc3)=N2)C1
InChIInChI=1S/C51H34N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)35-24-27-45-40(29-35)38-25-22-34(30-47(38)56-45)33-23-26-46-41(28-33)39-18-11-21-44(48(39)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-23,25-30,35,49H,24H2,(H,52,53,54)
InChIKeyFSQRESLMLXVCLY-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-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole with MolForge

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Related Compounds

9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
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-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
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
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
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
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 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) is 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole is C1=c2oc3cc(-c4ccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)ccc3c2=CC(C2=NC(c3ccccc3)NC(c3ccccc3)=N2)C1.
What is the InChIKey of 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is FSQRESLMLXVCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)35-24-27-45-40(29-35)38-25-22-34(30-47(38)56-45)33-23-26-46-41(28-33)39-18-11-21-44(48(39)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-23,25-30,35,49H,24H2,(H,52,53,54).
What are the key properties of 9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole?
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-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-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7,8-dihydrodibenzofuran-3-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166962859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).