N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine

C56H39NSi — CID 169285601

IUPACN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6ccccc6c6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C56H39NSi/c1-5-19-40(20-6-1)48-32-17-22-42-23-18-33-49(54(42)48)41-35-37-45(38-36-41)57(44-24-7-2-8-25-44)52-39-43-21-13-14-30-50(43)56-55(52)51-31-15-16-34-53(51)58(56,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-39H
InChIKeyHXPROXRMQRYXIQ-UHFFFAOYSA-N
MW754.02 g/mol
LogP12.15
Rot. Bonds7

About N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine

N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine (PubChem CID 169285601) has the molecular formula C56H39NSi and a molecular weight of 754.02 g/mol. Its IUPAC name is N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine.

Molecular Properties

Compound NameN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine
PubChem CID169285601
Molecular FormulaC56H39NSi
Molecular Weight754.02 g/mol
Exact Mass753.29
IUPAC NameN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6ccccc6c6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C56H39NSi/c1-5-19-40(20-6-1)48-32-17-22-42-23-18-33-49(54(42)48)41-35-37-45(38-36-41)57(44-24-7-2-8-25-44)52-39-43-21-13-14-30-50(43)56-55(52)51-31-15-16-34-53(51)58(56,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-39H
InChIKeyHXPROXRMQRYXIQ-UHFFFAOYSA-N
XLogP12.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.02
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-1-amine
CID 169285487
N,7,7-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-8-amine
CID 169285216
N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine
CID 169285448
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 140728891
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
5,5-dinaphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
CID 153426671
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712

Frequently Asked Questions

What is the IUPAC name of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine?
The IUPAC name of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine (CID 169285601) is N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine.
What is the SMILES notation for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine?
The canonical SMILES for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6ccccc6c6c5-c5ccccc5[Si]6(c5ccccc5)c5ccccc5)cc4)c23)cc1.
What is the InChIKey of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine?
The InChIKey is HXPROXRMQRYXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NSi/c1-5-19-40(20-6-1)48-32-17-22-42-23-18-33-49(54(42)48)41-35-37-45(38-36-41)57(44-24-7-2-8-25-44)52-39-43-21-13-14-30-50(43)56-55(52)51-31-15-16-34-53(51)58(56,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-39H.
What are the key properties of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine?
N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine has a molecular weight of 754.02 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzosilol-6-amine is sourced from PubChem (CID 169285601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).