4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine

C26H23NO — CID 162707526

IUPAC4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4ccc5ccccc5c4c3c2)c1)C(C)(C)C
InChIInChI=1S/C26H23NO/c1-26(2,3)16-17-12-13-27-22(14-17)19-9-10-23-21(15-19)25-20-7-5-4-6-18(20)8-11-24(25)28-23/h4-15H,16H2,1-3H3/i16D2
InChIKeyKPQUKVRXGFGHMG-BPPAMHLBSA-N
MW367.49 g/mol
LogP7.39
Rot. Bonds2

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine (PubChem CID 162707526) has the molecular formula C26H23NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine.

Molecular Properties

Compound Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
PubChem CID162707526
Molecular FormulaC26H23NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4ccc5ccccc5c4c3c2)c1)C(C)(C)C
InChIInChI=1S/C26H23NO/c1-26(2,3)16-17-12-13-27-22(14-17)19-9-10-23-21(15-19)25-20-7-5-4-6-18(20)8-11-24(25)28-23/h4-15H,16H2,1-3H3/i16D2
InChIKeyKPQUKVRXGFGHMG-BPPAMHLBSA-N
XLogP7.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
CID 162707187
4-(2,2-dimethylpropyl)-2-(5-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-7-yl)pyridine
CID 164846155
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-naphtho[2,1-b][1]benzofuran-8-yl-3-pyridinyl)pyridine
CID 166044166
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712
10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
CID 139341198
2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
CID 134487557
4-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-2-yl]benzenecarboperoxoic acid
CID 166578902

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine?
The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine (CID 162707526) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine.
What is the SMILES notation for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine?
The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine is [2H]C([2H])(c1ccnc(-c2ccc3oc4ccc5ccccc5c4c3c2)c1)C(C)(C)C.
What is the InChIKey of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine?
The InChIKey is KPQUKVRXGFGHMG-BPPAMHLBSA-N. The full InChI is InChI=1S/C26H23NO/c1-26(2,3)16-17-12-13-27-22(14-17)19-9-10-23-21(15-19)25-20-7-5-4-6-18(20)8-11-24(25)28-23/h4-15H,16H2,1-3H3/i16D2.
What are the key properties of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine?
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine has a molecular weight of 367.49 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine is sourced from PubChem (CID 162707526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).