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

C51H30N4O2 — CID 169010568

IUPAC9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)cc34)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)34-25-27-38-40-29-33(26-28-44(40)56-46(38)30-34)35-19-11-20-39-47-43(23-12-24-45(47)57-48(35)39)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30H
InChIKeyDOYXHEJROLTHDK-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 169010568) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID169010568
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)cc34)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)34-25-27-38-40-29-33(26-28-44(40)56-46(38)30-34)35-19-11-20-39-47-43(23-12-24-45(47)57-48(35)39)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30H
InChIKeyDOYXHEJROLTHDK-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-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 166962496
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657
9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159381403
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-[1-dibenzofuran-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166496108
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383

Frequently Asked Questions

What is the IUPAC name of 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (CID 169010568) is 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)cc34)n2)cc1.
What is the InChIKey of 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is DOYXHEJROLTHDK-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)34-25-27-38-40-29-33(26-28-44(40)56-46(38)30-34)35-19-11-20-39-47-43(23-12-24-45(47)57-48(35)39)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30H.
What are the key properties of 9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
9-[6-[7-(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-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 169010568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).