3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole

C51H30N4O2 — CID 177129529

IUPAC3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-42(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)39-29-33(26-28-41(39)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-25-27-38-37-18-8-10-22-43(37)56-46(38)30-34/h1-30H
InChIKeyLZUOHGRJOWHUEG-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

About 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole

3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole (PubChem CID 177129529) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
PubChem CID177129529
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-42(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)39-29-33(26-28-41(39)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-25-27-38-37-18-8-10-22-43(37)56-46(38)30-34/h1-30H
InChIKeyLZUOHGRJOWHUEG-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

3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 166962496
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010568
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole (CID 177129529) is 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is LZUOHGRJOWHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-42(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)39-29-33(26-28-41(39)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-25-27-38-37-18-8-10-22-43(37)56-46(38)30-34/h1-30H.
What are the key properties of 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-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 3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 177129529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).