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

C35H26N2O2 — CID 118860933

IUPAC3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(C4=CC=CNC4)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C35H26N2O2/c1-3-12-31-26(9-1)35(27-10-2-4-13-32(27)38-31)28-16-14-23(25-8-7-18-36-22-25)20-33(28)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-18,20-21,36-37H,19,22H2
InChIKeyFPYYGEHAHYUXEO-UHFFFAOYSA-N
MW506.61 g/mol
LogP7.28
Rot. Bonds2

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

3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine (PubChem CID 118860933) has the molecular formula C35H26N2O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
PubChem CID118860933
Molecular FormulaC35H26N2O2
Molecular Weight506.61 g/mol
Exact Mass506.20
IUPAC Name3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(C4=CC=CNC4)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C35H26N2O2/c1-3-12-31-26(9-1)35(27-10-2-4-13-32(27)38-31)28-16-14-23(25-8-7-18-36-22-25)20-33(28)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-18,20-21,36-37H,19,22H2
InChIKeyFPYYGEHAHYUXEO-UHFFFAOYSA-N
XLogP7.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
CID 118861117
7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 118861041
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
6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
CID 155443070
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-[3-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4'-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 118861107
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine
CID 130379635
2-[24-(1,2-dihydropyridin-2-yl)-11,18-bis(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(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118861048
3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]
CID 140947233
2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138632125

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine?
The IUPAC name of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine (CID 118860933) is 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine.
What is the SMILES notation for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine?
The canonical SMILES for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine is C1=CCNC(c2ccc3c(c2)Oc2cc(C4=CC=CNC4)ccc2C32c3ccccc3Oc3ccccc32)=C1.
What is the InChIKey of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine?
The InChIKey is FPYYGEHAHYUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O2/c1-3-12-31-26(9-1)35(27-10-2-4-13-32(27)38-31)28-16-14-23(25-8-7-18-36-22-25)20-33(28)39-34-21-24(15-17-29(34)35)30-11-5-6-19-37-30/h1-18,20-21,36-37H,19,22H2.
What are the key properties of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine?
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine has a molecular weight of 506.61 g/mol, XLogP of 7.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine is sourced from PubChem (CID 118860933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).