3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine

C74H50N2Si — CID 164956486

IUPAC3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc32)cc1
InChIInChI=1S/C74H50N2Si/c1-4-23-59(24-5-1)76-69-32-16-14-29-64(69)67-49-68(65-31-18-34-73-74(65)66-30-15-17-33-72(66)77(73,62-25-6-2-7-26-62)63-27-8-3-9-28-63)70(50-71(67)76)75(60-43-39-53(40-44-60)57-37-35-51-19-10-12-21-55(51)47-57)61-45-41-54(42-46-61)58-38-36-52-20-11-13-22-56(52)48-58/h1-50H
InChIKeyXVIRNULAIUODJL-UHFFFAOYSA-N
MW995.31 g/mol
LogP16.92
Rot. Bonds9

About 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine

3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 164956486) has the molecular formula C74H50N2Si and a molecular weight of 995.31 g/mol. Its IUPAC name is 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound Name3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID164956486
Molecular FormulaC74H50N2Si
Molecular Weight995.31 g/mol
Exact Mass994.37
IUPAC Name3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc32)cc1
InChIInChI=1S/C74H50N2Si/c1-4-23-59(24-5-1)76-69-32-16-14-29-64(69)67-49-68(65-31-18-34-73-74(65)66-30-15-17-33-72(66)77(73,62-25-6-2-7-26-62)63-27-8-3-9-28-63)70(50-71(67)76)75(60-43-39-53(40-44-60)57-37-35-51-19-10-12-21-55(51)47-57)61-45-41-54(42-46-61)58-38-36-52-20-11-13-22-56(52)48-58/h1-50H
InChIKeyXVIRNULAIUODJL-UHFFFAOYSA-N
XLogP16.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.31
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]phenanthren-9-amine
CID 140728886
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177097182
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168789420
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167233971
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine (CID 164956486) is 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc32)cc1.
What is the InChIKey of 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is XVIRNULAIUODJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2Si/c1-4-23-59(24-5-1)76-69-32-16-14-29-64(69)67-49-68(65-31-18-34-73-74(65)66-30-15-17-33-72(66)77(73,62-25-6-2-7-26-62)63-27-8-3-9-28-63)70(50-71(67)76)75(60-43-39-53(40-44-60)57-37-35-51-19-10-12-21-55(51)47-57)61-45-41-54(42-46-61)58-38-36-52-20-11-13-22-56(52)48-58/h1-50H.
What are the key properties of 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine?
3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine has a molecular weight of 995.31 g/mol, XLogP of 16.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 164956486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).