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

C51H30N4O2 — CID 169010518

IUPAC9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)37-19-11-23-45-47(37)38-29-33(25-27-43(38)56-45)34-26-28-44-39(30-34)48-42(22-12-24-46(48)57-44)55-40-20-9-7-17-35(40)36-18-8-10-21-41(36)55/h1-30H
InChIKeyFWTUKODDHURAAR-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 169010518) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID169010518
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)37-19-11-23-45-47(37)38-29-33(25-27-43(38)56-45)34-26-28-44-39(30-34)48-42(22-12-24-46(48)57-44)55-40-20-9-7-17-35(40)36-18-8-10-21-41(36)55/h1-30H
InChIKeyFWTUKODDHURAAR-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 170080011
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169010902
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169011089
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607540

Frequently Asked Questions

What is the IUPAC name of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (CID 169010518) is 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7oc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is FWTUKODDHURAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)37-19-11-23-45-47(37)38-29-33(25-27-43(38)56-45)34-26-28-44-39(30-34)48-42(22-12-24-46(48)57-44)55-40-20-9-7-17-35(40)36-18-8-10-21-41(36)55/h1-30H.
What are the key properties of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 169010518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).