4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine

C27H23NO — CID 166574655

IUPAC4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc(C)c3oc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C27H23NO/c1-17(2)20-11-12-28-25(16-20)22-13-18(3)27-24(15-22)23-14-21(9-10-26(23)29-27)19-7-5-4-6-8-19/h4-17H,1-3H3/i17D
InChIKeyMVZIJPWWLMDWEO-OKWSDYJOSA-N
MW378.49 g/mol
LogP7.75
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine (PubChem CID 166574655) has the molecular formula C27H23NO and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
PubChem CID166574655
Molecular FormulaC27H23NO
Molecular Weight378.49 g/mol
Exact Mass378.18
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cc(C)c3oc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C27H23NO/c1-17(2)20-11-12-28-25(16-20)22-13-18(3)27-24(15-22)23-14-21(9-10-26(23)29-27)19-7-5-4-6-8-19/h4-17H,1-3H3/i17D
InChIKeyMVZIJPWWLMDWEO-OKWSDYJOSA-N
XLogP7.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-(2-deuteriopropan-2-yl)-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575190
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine (CID 166574655) is 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cc(C)c3oc4ccc(-c5ccccc5)cc4c3c2)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is MVZIJPWWLMDWEO-OKWSDYJOSA-N. The full InChI is InChI=1S/C27H23NO/c1-17(2)20-11-12-28-25(16-20)22-13-18(3)27-24(15-22)23-14-21(9-10-26(23)29-27)19-7-5-4-6-8-19/h4-17H,1-3H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 378.49 g/mol, XLogP of 7.75, 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-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 166574655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).