2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole

C90H52N4O3 — CID 146262663

IUPAC2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)cccc65)ccc34)o2)cc1
InChIInChI=1S/C90H52N4O3/c1-2-20-55(21-3-1)87-93-94-88(97-87)82-59-46-43-56(52-57(59)44-47-66(82)68-30-18-37-76-86(68)96-79-39-14-12-34-73(79)89(76)70-31-9-6-25-63(70)64-26-7-10-32-71(64)89)58-28-16-36-75-81(58)69-27-8-11-33-72(69)90(75)74-35-13-15-40-80(74)95-85-67(29-17-38-77(85)90)62-48-49-65(61-24-5-4-23-60(61)62)78-50-45-54-42-41-53-22-19-51-91-83(53)84(54)92-78/h1-52H
InChIKeyYBCGNUVDBPHGQQ-UHFFFAOYSA-N
MW1237.43 g/mol
LogP22.41
Rot. Bonds6

About 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole

2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 146262663) has the molecular formula C90H52N4O3 and a molecular weight of 1237.43 g/mol. Its IUPAC name is 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID146262663
Molecular FormulaC90H52N4O3
Molecular Weight1237.43 g/mol
Exact Mass1236.40
IUPAC Name2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)cccc65)ccc34)o2)cc1
InChIInChI=1S/C90H52N4O3/c1-2-20-55(21-3-1)87-93-94-88(97-87)82-59-46-43-56(52-57(59)44-47-66(82)68-30-18-37-76-86(68)96-79-39-14-12-34-73(79)89(76)70-31-9-6-25-63(70)64-26-7-10-32-71(64)89)58-28-16-36-75-81(58)69-27-8-11-33-72(69)90(75)74-35-13-15-40-80(74)95-85-67(29-17-38-77(85)90)62-48-49-65(61-24-5-4-23-60(61)62)78-50-45-54-42-41-53-22-19-51-91-83(53)84(54)92-78/h1-52H
InChIKeyYBCGNUVDBPHGQQ-UHFFFAOYSA-N
XLogP22.41
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.43
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole (CID 146262663) is 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6c(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)cccc65)ccc34)o2)cc1.
What is the InChIKey of 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YBCGNUVDBPHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H52N4O3/c1-2-20-55(21-3-1)87-93-94-88(97-87)82-59-46-43-56(52-57(59)44-47-66(82)68-30-18-37-76-86(68)96-79-39-14-12-34-73(79)89(76)70-31-9-6-25-63(70)64-26-7-10-32-71(64)89)58-28-16-36-75-81(58)69-27-8-11-33-72(69)90(75)74-35-13-15-40-80(74)95-85-67(29-17-38-77(85)90)62-48-49-65(61-24-5-4-23-60(61)62)78-50-45-54-42-41-53-22-19-51-91-83(53)84(54)92-78/h1-52H.
What are the key properties of 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole?
2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1237.43 g/mol, XLogP of 22.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4'-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]spiro[fluorene-9,9'-xanthene]-4-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 146262663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).