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

C57H34N4O2 — CID 168721755

IUPAC9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(oc6c(-n7c8ccccc8c8ccccc87)cccc65)c4-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-16-35(17-4-1)37-20-13-21-38(34-37)56-58-55(36-18-5-2-6-19-36)59-57(60-56)45-33-32-42-41-25-14-29-48(61-46-27-10-7-22-39(46)40-23-8-11-28-47(40)61)53(41)63-54(42)52(45)44-26-15-31-50-51(44)43-24-9-12-30-49(43)62-50/h1-34H
InChIKeyNMORXXMQJDQDBC-UHFFFAOYSA-N
MW806.93 g/mol
LogP15.10
Rot. Bonds6

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

9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 168721755) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID168721755
Molecular FormulaC57H34N4O2
Molecular Weight806.93 g/mol
Exact Mass806.27
IUPAC Name9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(oc6c(-n7c8ccccc8c8ccccc87)cccc65)c4-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-16-35(17-4-1)37-20-13-21-38(34-37)56-58-55(36-18-5-2-6-19-36)59-57(60-56)45-33-32-42-41-25-14-29-48(61-46-27-10-7-22-39(46)40-23-8-11-28-47(40)61)53(41)63-54(42)52(45)44-26-15-31-50-51(44)43-24-9-12-30-49(43)62-50/h1-34H
InChIKeyNMORXXMQJDQDBC-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-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165108667
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441
2-dibenzofuran-1-yl-9-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 156521803
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
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

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 168721755) is 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(oc6c(-n7c8ccccc8c8ccccc87)cccc65)c4-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is NMORXXMQJDQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-16-35(17-4-1)37-20-13-21-38(34-37)56-58-55(36-18-5-2-6-19-36)59-57(60-56)45-33-32-42-41-25-14-29-48(61-46-27-10-7-22-39(46)40-23-8-11-28-47(40)61)53(41)63-54(42)52(45)44-26-15-31-50-51(44)43-24-9-12-30-49(43)62-50/h1-34H.
What are the key properties of 9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 168721755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).