4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine

C35H24N2O2 — CID 118861117

IUPAC4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccncc4)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C35H24N2O2/c1-3-10-31-26(7-1)35(27-8-2-4-11-32(27)38-31)28-14-12-24(23-16-19-36-20-17-23)21-33(28)39-34-22-25(13-15-29(34)35)30-9-5-6-18-37-30/h1-17,19-22,37H,18H2
InChIKeyYHXWIUIYQPRNDB-UHFFFAOYSA-N
MW504.59 g/mol
LogP7.84
Rot. Bonds2

About 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine

4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine (PubChem CID 118861117) has the molecular formula C35H24N2O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine.

Molecular Properties

Compound Name4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
PubChem CID118861117
Molecular FormulaC35H24N2O2
Molecular Weight504.59 g/mol
Exact Mass504.18
IUPAC Name4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccncc4)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C35H24N2O2/c1-3-10-31-26(7-1)35(27-8-2-4-11-32(27)38-31)28-14-12-24(23-16-19-36-20-17-23)21-33(28)39-34-22-25(13-15-29(34)35)30-9-5-6-18-37-30/h1-17,19-22,37H,18H2
InChIKeyYHXWIUIYQPRNDB-UHFFFAOYSA-N
XLogP7.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
CID 118860933
4-(1,2-dihydropyridin-6-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389212
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 118861041
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
CID 155443070
2-[3-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4'-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 118861107
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
CID 167177935
2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
4-[24-(1,2-dihydropyridin-6-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-1,2-dihydropyridine
CID 118860622
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine?
The IUPAC name of 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine (CID 118861117) is 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine.
What is the SMILES notation for 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine?
The canonical SMILES for 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine is C1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccncc4)ccc2C32c3ccccc3Oc3ccccc32)=C1.
What is the InChIKey of 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine?
The InChIKey is YHXWIUIYQPRNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O2/c1-3-10-31-26(7-1)35(27-8-2-4-11-32(27)38-31)28-14-12-24(23-16-19-36-20-17-23)21-33(28)39-34-22-25(13-15-29(34)35)30-9-5-6-18-37-30/h1-17,19-22,37H,18H2.
What are the key properties of 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine?
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine has a molecular weight of 504.59 g/mol, XLogP of 7.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine is sourced from PubChem (CID 118861117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).