2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole

C39H38N2O2 — CID 163747433

IUPAC2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
SMILESCC(n1c2ccccc2c2ccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5ccccc5c4c3)cc21)C(C)(C)C
InChIInChI=1S/C39H38N2O2/c1-24(38(2,3)4)41-34-14-10-8-12-28(34)29-17-16-26(23-35(29)41)42-27-21-31-30-13-9-11-15-36(30)43-37(31)32(22-27)33-20-25(18-19-40-33)39(5,6)7/h8-24H,1-7H3
InChIKeyLNBGJGZEPLPZLW-UHFFFAOYSA-N
MW566.75 g/mol
LogP11.45
Rot. Bonds4

About 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole

2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole (PubChem CID 163747433) has the molecular formula C39H38N2O2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
PubChem CID163747433
Molecular FormulaC39H38N2O2
Molecular Weight566.75 g/mol
Exact Mass566.29
IUPAC Name2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
SMILESCC(n1c2ccccc2c2ccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5ccccc5c4c3)cc21)C(C)(C)C
InChIInChI=1S/C39H38N2O2/c1-24(38(2,3)4)41-34-14-10-8-12-28(34)29-17-16-26(23-35(29)41)42-27-21-31-30-13-9-11-15-36(30)43-37(31)32(22-27)33-20-25(18-19-40-33)39(5,6)7/h8-24H,1-7H3
InChIKeyLNBGJGZEPLPZLW-UHFFFAOYSA-N
XLogP11.45
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
CID 177287879
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640
9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole
CID 170904888
CID 166564504
CID 166564504
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804287
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
CID 176783710
3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
CID 176783564
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole?
The IUPAC name of 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole (CID 163747433) is 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole.
What is the SMILES notation for 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole?
The canonical SMILES for 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole is CC(n1c2ccccc2c2ccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)c4oc5ccccc5c4c3)cc21)C(C)(C)C.
What is the InChIKey of 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole?
The InChIKey is LNBGJGZEPLPZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N2O2/c1-24(38(2,3)4)41-34-14-10-8-12-28(34)29-17-16-26(23-35(29)41)42-27-21-31-30-13-9-11-15-36(30)43-37(31)32(22-27)33-20-25(18-19-40-33)39(5,6)7/h8-24H,1-7H3.
What are the key properties of 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole?
2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole has a molecular weight of 566.75 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole is sourced from PubChem (CID 163747433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).