CID 168744150

C51H35N2OSi — CID 168744150

IUPAC—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1
InChIInChI=1S/C51H35N2OSi/c1-5-16-36(17-6-1)45-26-13-14-27-48(45)53(40-20-15-25-44(34-40)55(42-21-9-3-10-22-42)43-23-11-4-12-24-43)41-32-30-37-28-29-38-31-33-47-50(49(38)46(37)35-41)54-51(52-47)39-18-7-2-8-19-39/h1-35H
InChIKeyCYNWWJSKIFJERX-UHFFFAOYSA-N
MW719.94 g/mol
LogP11.45
Rot. Bonds8

About CID 168744150

CID 168744150 (PubChem CID 168744150) has the molecular formula C51H35N2OSi and a molecular weight of 719.94 g/mol.

Molecular Properties

Compound NameCID 168744150
PubChem CID168744150
Molecular FormulaC51H35N2OSi
Molecular Weight719.94 g/mol
Exact Mass719.25
IUPAC Name—
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1
InChIInChI=1S/C51H35N2OSi/c1-5-16-36(17-6-1)45-26-13-14-27-48(45)53(40-20-15-25-44(34-40)55(42-21-9-3-10-22-42)43-23-11-4-12-24-43)41-32-30-37-28-29-38-31-33-47-50(49(38)46(37)35-41)54-51(52-47)39-18-7-2-8-19-39/h1-35H
InChIKeyCYNWWJSKIFJERX-UHFFFAOYSA-N
XLogP11.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.94
LogP ≤ 511.45
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 168744162
CID 168744162
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
CID 168744171
CID 168744171
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-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
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
5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631562
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
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine
CID 163893650
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752

Frequently Asked Questions

What is the IUPAC name of CID 168744150?
The IUPAC name of CID 168744150 (CID 168744150) is not available.
What is the SMILES notation for CID 168744150?
The canonical SMILES for CID 168744150 is c1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc([Si](c7ccccc7)c7ccccc7)c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1.
What is the InChIKey of CID 168744150?
The InChIKey is CYNWWJSKIFJERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N2OSi/c1-5-16-36(17-6-1)45-26-13-14-27-48(45)53(40-20-15-25-44(34-40)55(42-21-9-3-10-22-42)43-23-11-4-12-24-43)41-32-30-37-28-29-38-31-33-47-50(49(38)46(37)35-41)54-51(52-47)39-18-7-2-8-19-39/h1-35H.
What are the key properties of CID 168744150?
CID 168744150 has a molecular weight of 719.94 g/mol, XLogP of 11.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168744150 is sourced from PubChem (CID 168744150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).