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

C51H30N4O2 — CID 166962097

IUPAC9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-45-41(29-34)48-36(18-11-21-46(48)56-45)33-22-26-44-40(28-33)39-25-24-35(30-47(39)57-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H
InChIKeyDXSRPNKKRAMVOU-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole (PubChem CID 166962097) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
PubChem CID166962097
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-45-41(29-34)48-36(18-11-21-46(48)56-45)33-22-26-44-40(28-33)39-25-24-35(30-47(39)57-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H
InChIKeyDXSRPNKKRAMVOU-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-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl]carbazole
CID 146664716
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole (CID 166962097) is 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)n2)cc1.
What is the InChIKey of 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is DXSRPNKKRAMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-45-41(29-34)48-36(18-11-21-46(48)56-45)33-22-26-44-40(28-33)39-25-24-35(30-47(39)57-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H.
What are the key properties of 9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 166962097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).