9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole

C54H36N2O — CID 166670185

IUPAC9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)c(-c2cccc3oc4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c23)c1-c1ccccc1
InChIInChI=1S/C54H36N2O/c1-35-50(37-19-8-3-9-20-37)52(54(39-23-12-5-13-24-39)55-53(35)38-21-10-4-11-22-38)45-26-16-28-48-51(45)44-32-30-41(34-49(44)57-48)56-46-27-15-14-25-42(46)43-31-29-40(33-47(43)56)36-17-6-2-7-18-36/h2-34H,1H3
InChIKeyCFGZUOJKABXCBY-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.72
Rot. Bonds6

About 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole

9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole (PubChem CID 166670185) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole
PubChem CID166670185
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)c(-c2cccc3oc4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c23)c1-c1ccccc1
InChIInChI=1S/C54H36N2O/c1-35-50(37-19-8-3-9-20-37)52(54(39-23-12-5-13-24-39)55-53(35)38-21-10-4-11-22-38)45-26-16-28-48-51(45)44-32-30-41(34-49(44)57-48)56-46-27-15-14-25-42(46)43-31-29-40(33-47(43)56)36-17-6-2-7-18-36/h2-34H,1H3
InChIKeyCFGZUOJKABXCBY-UHFFFAOYSA-N
XLogP14.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
2-dibenzofuran-1-yl-9-dibenzofuran-2-yl-7-phenylcarbazole
CID 130232982
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168770082
2-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;4-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 158601298

Frequently Asked Questions

What is the IUPAC name of 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole?
The IUPAC name of 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole (CID 166670185) is 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole is Cc1c(-c2ccccc2)nc(-c2ccccc2)c(-c2cccc3oc4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)ccc4c23)c1-c1ccccc1.
What is the InChIKey of 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole?
The InChIKey is CFGZUOJKABXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-35-50(37-19-8-3-9-20-37)52(54(39-23-12-5-13-24-39)55-53(35)38-21-10-4-11-22-38)45-26-16-28-48-51(45)44-32-30-41(34-49(44)57-48)56-46-27-15-14-25-42(46)43-31-29-40(33-47(43)56)36-17-6-2-7-18-36/h2-34H,1H3.
What are the key properties of 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole?
9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole has a molecular weight of 728.90 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(5-methyl-2,4,6-triphenyl-3-pyridinyl)dibenzofuran-3-yl]-2-phenylcarbazole is sourced from PubChem (CID 166670185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).