4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine

C26H21NO — CID 166578919

IUPAC4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc(-c3ccccc3)c3c(c2)oc2ccccc23)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-12-13-27-23(15-19)20-14-22(18-8-4-3-5-9-18)26-21-10-6-7-11-24(21)28-25(26)16-20/h3-17H,1-2H3/i17D
InChIKeyKGCBCHHKZRXLFQ-OKWSDYJOSA-N
MW364.47 g/mol
LogP7.44
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine (PubChem CID 166578919) has the molecular formula C26H21NO and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
PubChem CID166578919
Molecular FormulaC26H21NO
Molecular Weight364.47 g/mol
Exact Mass364.17
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc(-c3ccccc3)c3c(c2)oc2ccccc23)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-12-13-27-23(15-19)20-14-22(18-8-4-3-5-9-18)26-21-10-6-7-11-24(21)28-25(26)16-20/h3-17H,1-2H3/i17D
InChIKeyKGCBCHHKZRXLFQ-OKWSDYJOSA-N
XLogP7.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
3-methyl-1-phenyldibenzofuran
CID 129266933
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575711
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708909
1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine (CID 166578919) is 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cc(-c3ccccc3)c3c(c2)oc2ccccc23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine?
The InChIKey is KGCBCHHKZRXLFQ-OKWSDYJOSA-N. The full InChI is InChI=1S/C26H21NO/c1-17(2)19-12-13-27-23(15-19)20-14-22(18-8-4-3-5-9-18)26-21-10-6-7-11-24(21)28-25(26)16-20/h3-17H,1-2H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine has a molecular weight of 364.47 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine is sourced from PubChem (CID 166578919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).