N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

C55H38N2OSi — CID 174061854

IUPACN-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-c7cccc([SiH](c8ccccc8)c8ccccc8)c7)c6)c6cccc7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C55H38N2OSi/c1-4-16-41(17-5-1)55-56-51-34-32-40-30-29-39-31-33-45(37-50(39)53(40)54(51)58-55)57(52-28-14-18-38-15-10-11-27-49(38)52)44-21-12-19-42(35-44)43-20-13-26-48(36-43)59(46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-37,59H
InChIKeyAVKVIMZXUBRKSB-UHFFFAOYSA-N
MW771.01 g/mol
LogP12.34
Rot. Bonds8

About N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 174061854) has the molecular formula C55H38N2OSi and a molecular weight of 771.01 g/mol. Its IUPAC name is N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID174061854
Molecular FormulaC55H38N2OSi
Molecular Weight771.01 g/mol
Exact Mass770.28
IUPAC NameN-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-c7cccc([SiH](c8ccccc8)c8ccccc8)c7)c6)c6cccc7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C55H38N2OSi/c1-4-16-41(17-5-1)55-56-51-34-32-40-30-29-39-31-33-45(37-50(39)53(40)54(51)58-55)57(52-28-14-18-38-15-10-11-27-49(38)52)44-21-12-19-42(35-44)43-20-13-26-48(36-43)59(46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-37,59H
InChIKeyAVKVIMZXUBRKSB-UHFFFAOYSA-N
XLogP12.34
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.01
LogP ≤ 512.34
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

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
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
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
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-(3-naphthalen-2-ylphenyl)-5-phenyl-N-(3-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-17-amine
CID 176631307
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
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-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
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
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
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 174061854) is N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6cccc(-c7cccc([SiH](c8ccccc8)c8ccccc8)c7)c6)c6cccc7ccccc67)cc5c4c3o2)cc1.
What is the InChIKey of N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is AVKVIMZXUBRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2OSi/c1-4-16-41(17-5-1)55-56-51-34-32-40-30-29-39-31-33-45(37-50(39)53(40)54(51)58-55)57(52-28-14-18-38-15-10-11-27-49(38)52)44-21-12-19-42(35-44)43-20-13-26-48(36-43)59(46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-37,59H.
What are the key properties of N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 771.01 g/mol, XLogP of 12.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-diphenylsilylphenyl)phenyl]-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 174061854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).