N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine

C66H61NSi — CID 174329477

IUPACN-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc(C5CCCCC5)cc4)c4cccc5cc(-c6cccc7c6-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc45)c3)ccc21
InChIInChI=1S/C66H61NSi/c1-65(2)41-42-66(3,4)60-45-49(36-40-59(60)65)48-21-16-23-53(44-48)67(52-37-33-47(34-38-52)46-19-8-5-9-20-46)61-30-17-22-50-43-51(35-39-56(50)61)57-29-18-32-63-64(57)58-28-14-15-31-62(58)68(63,54-24-10-6-11-25-54)55-26-12-7-13-27-55/h6-7,10-18,21-40,43-46H,5,8-9,19-20,41-42H2,1-4H3
InChIKeyBJVIKWRDTPSEQJ-UHFFFAOYSA-N
MW896.31 g/mol
LogP15.40
Rot. Bonds8

About N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine

N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine (PubChem CID 174329477) has the molecular formula C66H61NSi and a molecular weight of 896.31 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine
PubChem CID174329477
Molecular FormulaC66H61NSi
Molecular Weight896.31 g/mol
Exact Mass895.46
IUPAC NameN-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc(C5CCCCC5)cc4)c4cccc5cc(-c6cccc7c6-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc45)c3)ccc21
InChIInChI=1S/C66H61NSi/c1-65(2)41-42-66(3,4)60-45-49(36-40-59(60)65)48-21-16-23-53(44-48)67(52-37-33-47(34-38-52)46-19-8-5-9-20-46)61-30-17-22-50-43-51(35-39-56(50)61)57-29-18-32-63-64(57)58-28-14-15-31-62(58)68(63,54-24-10-6-11-25-54)55-26-12-7-13-27-55/h6-7,10-18,21-40,43-46H,5,8-9,19-20,41-42H2,1-4H3
InChIKeyBJVIKWRDTPSEQJ-UHFFFAOYSA-N
XLogP15.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.31
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 176764651
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771662
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
CID 176764631
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine (CID 174329477) is N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine is CC1(C)CCC(C)(C)c2cc(-c3cccc(N(c4ccc(C5CCCCC5)cc4)c4cccc5cc(-c6cccc7c6-c6ccccc6[Si]7(c6ccccc6)c6ccccc6)ccc45)c3)ccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is BJVIKWRDTPSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H61NSi/c1-65(2)41-42-66(3,4)60-45-49(36-40-59(60)65)48-21-16-23-53(44-48)67(52-37-33-47(34-38-52)46-19-8-5-9-20-46)61-30-17-22-50-43-51(35-39-56(50)61)57-29-18-32-63-64(57)58-28-14-15-31-62(58)68(63,54-24-10-6-11-25-54)55-26-12-7-13-27-55/h6-7,10-18,21-40,43-46H,5,8-9,19-20,41-42H2,1-4H3.
What are the key properties of N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine?
N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 896.31 g/mol, XLogP of 15.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-6-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 174329477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).