N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine

C56H56N2Si — CID 168810181

IUPACN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
SMILESC[Si]1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)ccc21
InChIInChI=1S/C56H56N2Si/c1-59(2)54-24-14-13-23-52(54)53-41-51(37-38-55(53)59)58(47-21-11-5-12-22-47)50-35-29-45(30-36-50)56(39-15-6-16-40-56)44-27-33-49(34-28-44)57(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-5,9-14,19-38,41-42H,3,6-8,15-18,39-40H2,1-2H3
InChIKeyUWDDIRTUQOVQAM-UHFFFAOYSA-N
MW785.16 g/mol
LogP14.73
Rot. Bonds9

About N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine (PubChem CID 168810181) has the molecular formula C56H56N2Si and a molecular weight of 785.16 g/mol. Its IUPAC name is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
PubChem CID168810181
Molecular FormulaC56H56N2Si
Molecular Weight785.16 g/mol
Exact Mass784.42
IUPAC NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
SMILESC[Si]1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)ccc21
InChIInChI=1S/C56H56N2Si/c1-59(2)54-24-14-13-23-52(54)53-41-51(37-38-55(53)59)58(47-21-11-5-12-22-47)50-35-29-45(30-36-50)56(39-15-6-16-40-56)44-27-33-49(34-28-44)57(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-5,9-14,19-38,41-42H,3,6-8,15-18,39-40H2,1-2H3
InChIKeyUWDDIRTUQOVQAM-UHFFFAOYSA-N
XLogP14.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.16
LogP ≤ 514.73
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-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810688
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810236
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 168810623
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
CID 168810343
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171416263
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine?
The IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine (CID 168810181) is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine.
What is the SMILES notation for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine?
The canonical SMILES for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine is C[Si]1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)ccc21.
What is the InChIKey of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine?
The InChIKey is UWDDIRTUQOVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2Si/c1-59(2)54-24-14-13-23-52(54)53-41-51(37-38-55(53)59)58(47-21-11-5-12-22-47)50-35-29-45(30-36-50)56(39-15-6-16-40-56)44-27-33-49(34-28-44)57(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-5,9-14,19-38,41-42H,3,6-8,15-18,39-40H2,1-2H3.
What are the key properties of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine?
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine has a molecular weight of 785.16 g/mol, XLogP of 14.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine is sourced from PubChem (CID 168810181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).