4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C50H34N3O2Si- — CID 163743859

IUPAC4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(N4c5ccccc5[SiH-](c5ccccc5)(c5ccccc5)c5ccccc54)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C50H34N3O2Si/c1-6-20-34(21-7-1)43-44-48(55-49(51-44)35-22-8-2-9-23-35)46(45-47(43)54-50(52-45)36-24-10-3-11-25-36)53-39-30-16-18-32-41(39)56(37-26-12-4-13-27-37,38-28-14-5-15-29-38)42-33-19-17-31-40(42)53/h1-33,56H/q-1
InChIKeyLKCOYGLHANCADG-UHFFFAOYSA-N
MW736.93 g/mol
LogP9.86
Rot. Bonds6

About 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 163743859) has the molecular formula C50H34N3O2Si- and a molecular weight of 736.93 g/mol. Its IUPAC name is 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID163743859
Molecular FormulaC50H34N3O2Si-
Molecular Weight736.93 g/mol
Exact Mass736.24
IUPAC Name4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(N4c5ccccc5[SiH-](c5ccccc5)(c5ccccc5)c5ccccc54)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C50H34N3O2Si/c1-6-20-34(21-7-1)43-44-48(55-49(51-44)35-22-8-2-9-23-35)46(45-47(43)54-50(52-45)36-24-10-3-11-25-36)53-39-30-16-18-32-41(39)56(37-26-12-4-13-27-37,38-28-14-5-15-29-38)42-33-19-17-31-40(42)53/h1-33,56H/q-1
InChIKeyLKCOYGLHANCADG-UHFFFAOYSA-N
XLogP9.86
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.93
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole with MolForge

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Related Compounds

10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
CID 118532545
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532601
4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532602
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
4,8-bis(4-dodecoxyphenyl)-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 101247000
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole
CID 164705866
2,4,6,8-tetrakis(4-dodecylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 71764981
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-N,4-diphenylaniline
CID 176785610
2,6-bis(9,9-dihexylfluoren-2-yl)-4,8-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 132594992

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 163743859) is 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is c1ccc(-c2nc3c(N4c5ccccc5[SiH-](c5ccccc5)(c5ccccc5)c5ccccc54)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1.
What is the InChIKey of 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is LKCOYGLHANCADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N3O2Si/c1-6-20-34(21-7-1)43-44-48(55-49(51-44)35-22-8-2-9-23-35)46(45-47(43)54-50(52-45)36-24-10-3-11-25-36)53-39-30-16-18-32-41(39)56(37-26-12-4-13-27-37,38-28-14-5-15-29-38)42-33-19-17-31-40(42)53/h1-33,56H/q-1.
What are the key properties of 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 736.93 g/mol, XLogP of 9.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 163743859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).