CID 168744162

C55H37N2OSi — CID 168744162

IUPAC—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6cccc7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C55H37N2OSi/c1-4-17-41(18-5-1)55-56-51-35-33-40-31-30-39-32-34-43(37-50(39)53(40)54(51)58-55)57(52-29-13-12-27-49(52)48-28-14-19-38-16-10-11-26-47(38)48)42-20-15-25-46(36-42)59(44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-37H
InChIKeyIRCFTGPAQGTHED-UHFFFAOYSA-N
MW770.00 g/mol
LogP12.61
Rot. Bonds8

About CID 168744162

CID 168744162 (PubChem CID 168744162) has the molecular formula C55H37N2OSi and a molecular weight of 770.00 g/mol.

Molecular Properties

Compound NameCID 168744162
PubChem CID168744162
Molecular FormulaC55H37N2OSi
Molecular Weight770.00 g/mol
Exact Mass769.27
IUPAC Name—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6cccc7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C55H37N2OSi/c1-4-17-41(18-5-1)55-56-51-35-33-40-31-30-39-32-34-43(37-50(39)53(40)54(51)58-55)57(52-29-13-12-27-49(52)48-28-14-19-38-16-10-11-26-47(38)48)42-20-15-25-46(36-42)59(44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-37H
InChIKeyIRCFTGPAQGTHED-UHFFFAOYSA-N
XLogP12.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.00
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 168744150
CID 168744150
CID 168744171
CID 168744171
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037
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
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
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-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
2,7-diphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112808
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058

Frequently Asked Questions

What is the IUPAC name of CID 168744162?
The IUPAC name of CID 168744162 (CID 168744162) is not available.
What is the SMILES notation for CID 168744162?
The canonical SMILES for CID 168744162 is c1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6cccc7ccccc67)cc5c4c3o2)cc1.
What is the InChIKey of CID 168744162?
The InChIKey is IRCFTGPAQGTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N2OSi/c1-4-17-41(18-5-1)55-56-51-35-33-40-31-30-39-32-34-43(37-50(39)53(40)54(51)58-55)57(52-29-13-12-27-49(52)48-28-14-19-38-16-10-11-26-47(38)48)42-20-15-25-46(36-42)59(44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-37H.
What are the key properties of CID 168744162?
CID 168744162 has a molecular weight of 770.00 g/mol, XLogP of 12.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168744162 is sourced from PubChem (CID 168744162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).