4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine

C61H40N4O3 — CID 164783562

IUPAC4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine
SMILESNc1cnccc1OCc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(-c4nc5cnccc5o4)cc3)c2)cc1
InChIInChI=1S/C61H40N4O3/c62-54-35-63-29-27-58(54)66-37-38-13-15-40(16-14-38)45-31-46(33-47(32-45)42-21-23-43(24-22-42)60-65-55-36-64-30-28-59(55)68-60)41-19-17-39(18-20-41)44-25-26-49-48-7-1-2-8-50(48)61(53(49)34-44)51-9-3-5-11-56(51)67-57-12-6-4-10-52(57)61/h1-36H,37,62H2
InChIKeyYYVCVDCYZVRYKM-UHFFFAOYSA-N
MW877.02 g/mol
LogP14.58
Rot. Bonds8

About 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine

4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine (PubChem CID 164783562) has the molecular formula C61H40N4O3 and a molecular weight of 877.02 g/mol. Its IUPAC name is 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine.

Molecular Properties

Compound Name4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine
PubChem CID164783562
Molecular FormulaC61H40N4O3
Molecular Weight877.02 g/mol
Exact Mass876.31
IUPAC Name4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine
SMILESNc1cnccc1OCc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(-c4nc5cnccc5o4)cc3)c2)cc1
InChIInChI=1S/C61H40N4O3/c62-54-35-63-29-27-58(54)66-37-38-13-15-40(16-14-38)45-31-46(33-47(32-45)42-21-23-43(24-22-42)60-65-55-36-64-30-28-59(55)68-60)41-19-17-39(18-20-41)44-25-26-49-48-7-1-2-8-50(48)61(53(49)34-44)51-9-3-5-11-56(51)67-57-12-6-4-10-52(57)61/h1-36H,37,62H2
InChIKeyYYVCVDCYZVRYKM-UHFFFAOYSA-N
XLogP14.58
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.02
LogP ≤ 514.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine with MolForge

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Related Compounds

2-[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
CID 164783651
2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783476
2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 164783900
2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 164783887
2-[3-(1,3-benzoxazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-3-yl)phenyl]-1,3-benzoxazole
CID 164783824
2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783951
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
CID 164783955
2-[4-[2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-5-yl]phenyl]-1,3-benzoxazole
CID 170168600
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-[3-(1,3-benzoxazol-2-yl)-5-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783727
2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571377
2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine?
The IUPAC name of 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine (CID 164783562) is 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine.
What is the SMILES notation for 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine?
The canonical SMILES for 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine is Nc1cnccc1OCc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc(-c3ccc(-c4nc5cnccc5o4)cc3)c2)cc1.
What is the InChIKey of 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine?
The InChIKey is YYVCVDCYZVRYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O3/c62-54-35-63-29-27-58(54)66-37-38-13-15-40(16-14-38)45-31-46(33-47(32-45)42-21-23-43(24-22-42)60-65-55-36-64-30-28-59(55)68-60)41-19-17-39(18-20-41)44-25-26-49-48-7-1-2-8-50(48)61(53(49)34-44)51-9-3-5-11-56(51)67-57-12-6-4-10-52(57)61/h1-36H,37,62H2.
What are the key properties of 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine?
4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine has a molecular weight of 877.02 g/mol, XLogP of 14.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine is sourced from PubChem (CID 164783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).