4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine

C33H34N2O2 — CID 123398786

IUPAC4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(OCc4ccncc4)cc32)c2cc(OCc3ccncc3)ccc21
InChIInChI=1S/C33H34N2O2/c1-31(2)21-33(29-17-25(5-7-27(29)31)36-19-23-9-13-34-14-10-23)22-32(3,4)28-8-6-26(18-30(28)33)37-20-24-11-15-35-16-12-24/h5-18H,19-22H2,1-4H3
InChIKeyNNDBFBXWYYHHNV-UHFFFAOYSA-N
MW490.65 g/mol
LogP7.28
Rot. Bonds6

About 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine

4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine (PubChem CID 123398786) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine
PubChem CID123398786
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(OCc4ccncc4)cc32)c2cc(OCc3ccncc3)ccc21
InChIInChI=1S/C33H34N2O2/c1-31(2)21-33(29-17-25(5-7-27(29)31)36-19-23-9-13-34-14-10-23)22-32(3,4)28-8-6-26(18-30(28)33)37-20-24-11-15-35-16-12-24/h5-18H,19-22H2,1-4H3
InChIKeyNNDBFBXWYYHHNV-UHFFFAOYSA-N
XLogP7.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(4-Pyridylmethylene)indane 12a
CID 6539796
4-{[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539797
4-{[(1E)-6-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539800
(4-Pyridylmethylene)indane 16b
CID 6539801
2-(Cyclopentyloxy)-4-[alpha-(4-pyridylmethyl)benzyl]anisole
CID 9885877
4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]-pyridine
CID 10407016
2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one
CID 10625774

Frequently Asked Questions

What is the IUPAC name of 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine?
The IUPAC name of 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine (CID 123398786) is 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine?
The canonical SMILES for 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine is CC1(C)CC2(CC(C)(C)c3ccc(OCc4ccncc4)cc32)c2cc(OCc3ccncc3)ccc21.
What is the InChIKey of 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine?
The InChIKey is NNDBFBXWYYHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-31(2)21-33(29-17-25(5-7-27(29)31)36-19-23-9-13-34-14-10-23)22-32(3,4)28-8-6-26(18-30(28)33)37-20-24-11-15-35-16-12-24/h5-18H,19-22H2,1-4H3.
What are the key properties of 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine?
4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine has a molecular weight of 490.65 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,1,1',1'-tetramethyl-5'-(pyridin-4-ylmethoxy)-3,3'-spirobi[2H-indene]-5-yl]oxymethyl]pyridine is sourced from PubChem (CID 123398786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).