2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole

C39H22N6O2 — CID 58979961

IUPAC2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc4c(n3)-c3nc(-c5nnc(-c6ccccc6)o5)ccc3C43c4ccccc4-c4ccccc43)o2)cc1
InChIInChI=1S/C39H22N6O2/c1-3-11-23(12-4-1)35-42-44-37(46-35)31-21-19-29-33(40-31)34-30(39(29)27-17-9-7-15-25(27)26-16-8-10-18-28(26)39)20-22-32(41-34)38-45-43-36(47-38)24-13-5-2-6-14-24/h1-22H
InChIKeyQVDGUDBPHVSEJU-UHFFFAOYSA-N
MW606.65 g/mol
LogP8.25
Rot. Bonds4

About 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole

2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole (PubChem CID 58979961) has the molecular formula C39H22N6O2 and a molecular weight of 606.65 g/mol. Its IUPAC name is 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole
PubChem CID58979961
Molecular FormulaC39H22N6O2
Molecular Weight606.65 g/mol
Exact Mass606.18
IUPAC Name2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc4c(n3)-c3nc(-c5nnc(-c6ccccc6)o5)ccc3C43c4ccccc4-c4ccccc43)o2)cc1
InChIInChI=1S/C39H22N6O2/c1-3-11-23(12-4-1)35-42-44-37(46-35)31-21-19-29-33(40-31)34-30(39(29)27-17-9-7-15-25(27)26-16-8-10-18-28(26)39)20-22-32(41-34)38-45-43-36(47-38)24-13-5-2-6-14-24/h1-22H
InChIKeyQVDGUDBPHVSEJU-UHFFFAOYSA-N
XLogP8.25
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.65
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 159048422
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
benzylbenzene;4,12-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2',7'-diamine;2-(4-tert-butylphenyl)-5-[12-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[2',7'-dibromo-12-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole;methane
CID 158548345
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
CID 166018005
CID 166018005
2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 158223952
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166008017
21-[3-(3-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];2-phenyl-5-[3-(4-spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]-21-ylphenyl)phenyl]-1,3,4-oxadiazole;21-[3-(3-pyridin-4-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 161141142
2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
CID 171048416
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole (CID 58979961) is 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc4c(n3)-c3nc(-c5nnc(-c6ccccc6)o5)ccc3C43c4ccccc4-c4ccccc43)o2)cc1.
What is the InChIKey of 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole?
The InChIKey is QVDGUDBPHVSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N6O2/c1-3-11-23(12-4-1)35-42-44-37(46-35)31-21-19-29-33(40-31)34-30(39(29)27-17-9-7-15-25(27)26-16-8-10-18-28(26)39)20-22-32(41-34)38-45-43-36(47-38)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole?
2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole has a molecular weight of 606.65 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58979961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).