5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine

C49H44N2Si — CID 168810236

IUPAC5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCC4)cc3)cc21
InChIInChI=1S/C49H44N2Si/c1-52(2)47-23-13-12-22-45(47)46-33-32-44(36-48(46)52)51(41-20-10-5-11-21-41)43-30-26-38(27-31-43)49(34-14-15-35-49)37-24-28-42(29-25-37)50(39-16-6-3-7-17-39)40-18-8-4-9-19-40/h3-13,16-33,36H,14-15,34-35H2,1-2H3
InChIKeyDOIGDUPVHUBIFV-UHFFFAOYSA-N
MW688.99 g/mol
LogP12.29
Rot. Bonds8

About 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine

5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine (PubChem CID 168810236) has the molecular formula C49H44N2Si and a molecular weight of 688.99 g/mol. Its IUPAC name is 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
PubChem CID168810236
Molecular FormulaC49H44N2Si
Molecular Weight688.99 g/mol
Exact Mass688.33
IUPAC Name5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCC4)cc3)cc21
InChIInChI=1S/C49H44N2Si/c1-52(2)47-23-13-12-22-45(47)46-33-32-44(36-48(46)52)51(41-20-10-5-11-21-41)43-30-26-38(27-31-43)49(34-14-15-35-49)37-24-28-42(29-25-37)50(39-16-6-3-7-17-39)40-18-8-4-9-19-40/h3-13,16-33,36H,14-15,34-35H2,1-2H3
InChIKeyDOIGDUPVHUBIFV-UHFFFAOYSA-N
XLogP12.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.99
LogP ≤ 512.29
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-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810181
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
CID 168810343
5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810421
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 168810623
N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 170929734
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
CID 162504511
5,5-dimethyl-N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522931
9,9-dimethyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174254615
9,9,21,21-tetramethyl-6-N,6-N,18-N,18-N-tetraphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59182181
N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522930
N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025205
N-(3,4-dimethylphenyl)-N-[4-[1-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]cyclopentyl]phenyl]-3,4-dimethylaniline
CID 59575404

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine?
The IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine (CID 168810236) is 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine?
The canonical SMILES for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCC4)cc3)cc21.
What is the InChIKey of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine?
The InChIKey is DOIGDUPVHUBIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2Si/c1-52(2)47-23-13-12-22-45(47)46-33-32-44(36-48(46)52)51(41-20-10-5-11-21-41)43-30-26-38(27-31-43)49(34-14-15-35-49)37-24-28-42(29-25-37)50(39-16-6-3-7-17-39)40-18-8-4-9-19-40/h3-13,16-33,36H,14-15,34-35H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine?
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine has a molecular weight of 688.99 g/mol, XLogP of 12.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 168810236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).