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

C57H34N4O2 — CID 165166776

IUPAC9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8oc9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9c78)cc6c45)n3)c2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)37-19-11-20-39(33-37)56-58-55(36-17-5-2-6-18-36)59-57(60-56)43-24-13-28-49-52(43)44-34-38(31-32-48(44)62-49)40-23-12-29-50-53(40)54-47(27-14-30-51(54)63-50)61-45-25-9-7-21-41(45)42-22-8-10-26-46(42)61/h1-34H
InChIKeyCWYLJJQTJOJZLI-UHFFFAOYSA-N
MW806.93 g/mol
LogP15.10
Rot. Bonds6

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

9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 165166776) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID165166776
Molecular FormulaC57H34N4O2
Molecular Weight806.93 g/mol
Exact Mass806.27
IUPAC Name9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8oc9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9c78)cc6c45)n3)c2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)37-19-11-20-39(33-37)56-58-55(36-17-5-2-6-18-36)59-57(60-56)43-24-13-28-49-52(43)44-34-38(31-32-48(44)62-49)40-23-12-29-50-53(40)54-47(27-14-30-51(54)63-50)61-45-25-9-7-21-41(45)42-22-8-10-26-46(42)61/h1-34H
InChIKeyCWYLJJQTJOJZLI-UHFFFAOYSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.93
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
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-[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
3-dibenzofuran-1-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-1-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-1-yl-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165084980
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
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-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole (CID 165166776) is 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8oc9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9c78)cc6c45)n3)c2)cc1.
What is the InChIKey of 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is CWYLJJQTJOJZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)37-19-11-20-39(33-37)56-58-55(36-17-5-2-6-18-36)59-57(60-56)43-24-13-28-49-52(43)44-34-38(31-32-48(44)62-49)40-23-12-29-50-53(40)54-47(27-14-30-51(54)63-50)61-45-25-9-7-21-41(45)42-22-8-10-26-46(42)61/h1-34H.
What are the key properties of 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole?
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 165166776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).