CID 168744144

C55H35N2O2Si — CID 168744144

IUPAC—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6[Si](c6ccccc6)c6ccccc6)c6cccc7oc8cc9ccccc9cc8c67)cc5c4c3o2)cc1
InChIInChI=1S/C55H35N2O2Si/c1-4-15-38(16-5-1)55-56-46-32-30-37-28-27-36-29-31-41(35-44(36)52(37)54(46)59-55)57(48-24-14-25-49-53(48)45-33-39-17-10-11-18-40(39)34-50(45)58-49)47-23-12-13-26-51(47)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H
InChIKeySOGXMHYONVGTJT-UHFFFAOYSA-N
MW783.98 g/mol
LogP12.84
Rot. Bonds7

About CID 168744144

CID 168744144 (PubChem CID 168744144) has the molecular formula C55H35N2O2Si and a molecular weight of 783.98 g/mol.

Molecular Properties

Compound NameCID 168744144
PubChem CID168744144
Molecular FormulaC55H35N2O2Si
Molecular Weight783.98 g/mol
Exact Mass783.25
IUPAC Name—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6[Si](c6ccccc6)c6ccccc6)c6cccc7oc8cc9ccccc9cc8c67)cc5c4c3o2)cc1
InChIInChI=1S/C55H35N2O2Si/c1-4-15-38(16-5-1)55-56-46-32-30-37-28-27-36-29-31-41(35-44(36)52(37)54(46)59-55)57(48-24-14-25-49-53(48)45-33-39-17-10-11-18-40(39)34-50(45)58-49)47-23-12-13-26-51(47)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H
InChIKeySOGXMHYONVGTJT-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 168744171
CID 168744171
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851617
CID 168744162
CID 168744162
CID 168744150
CID 168744150
N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-naphtho[3,2-b][1]benzofuran-8-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(9-phenyldibenzofuran-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 157275800
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112672
N-benzo[c]phenanthren-2-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167182049
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269

Frequently Asked Questions

What is the IUPAC name of CID 168744144?
The IUPAC name of CID 168744144 (CID 168744144) is not available.
What is the SMILES notation for CID 168744144?
The canonical SMILES for CID 168744144 is c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6[Si](c6ccccc6)c6ccccc6)c6cccc7oc8cc9ccccc9cc8c67)cc5c4c3o2)cc1.
What is the InChIKey of CID 168744144?
The InChIKey is SOGXMHYONVGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N2O2Si/c1-4-15-38(16-5-1)55-56-46-32-30-37-28-27-36-29-31-41(35-44(36)52(37)54(46)59-55)57(48-24-14-25-49-53(48)45-33-39-17-10-11-18-40(39)34-50(45)58-49)47-23-12-13-26-51(47)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H.
What are the key properties of CID 168744144?
CID 168744144 has a molecular weight of 783.98 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168744144 is sourced from PubChem (CID 168744144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).