N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine

C62H43NOSi — CID 123356270

IUPACN-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C62H43NOSi/c1-5-18-44(19-6-1)45-32-36-49(37-33-45)63(60-31-17-30-57-58-42-47-20-13-14-21-48(47)43-61(58)64-62(57)60)59-41-40-54(55-28-15-16-29-56(55)59)46-34-38-53(39-35-46)65(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-43H
InChIKeyFVNZWXQUPIWVPQ-UHFFFAOYSA-N
MW846.12 g/mol
LogP14.07
Rot. Bonds9

About N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine

N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 123356270) has the molecular formula C62H43NOSi and a molecular weight of 846.12 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID123356270
Molecular FormulaC62H43NOSi
Molecular Weight846.12 g/mol
Exact Mass845.31
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C62H43NOSi/c1-5-18-44(19-6-1)45-32-36-49(37-33-45)63(60-31-17-30-57-58-42-47-20-13-14-21-48(47)43-61(58)64-62(57)60)59-41-40-54(55-28-15-16-29-56(55)59)46-34-38-53(39-35-46)65(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-43H
InChIKeyFVNZWXQUPIWVPQ-UHFFFAOYSA-N
XLogP14.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.12
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine
CID 159714421
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-triphenylsilylphenyl)naphthalen-1-amine
CID 123242691
N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-naphthalen-2-yldibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 158603795
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 167181830
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,3-b][1]benzofuran-4-amine
CID 169285185
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167397088
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine (CID 123356270) is N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3cccc4c3oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is FVNZWXQUPIWVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NOSi/c1-5-18-44(19-6-1)45-32-36-49(37-33-45)63(60-31-17-30-57-58-42-47-20-13-14-21-48(47)43-61(58)64-62(57)60)59-41-40-54(55-28-15-16-29-56(55)59)46-34-38-53(39-35-46)65(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine?
N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 846.12 g/mol, XLogP of 14.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 123356270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).