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

C45H38N2Si — CID 168810421

IUPAC5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C45H38N2Si/c1-48(2)44-21-13-12-20-42(44)43-31-30-41(33-45(43)48)47(38-18-10-5-11-19-38)40-28-24-35(25-29-40)32-34-22-26-39(27-23-34)46(36-14-6-3-7-15-36)37-16-8-4-9-17-37/h3-31,33H,32H2,1-2H3
InChIKeyJMHZKMISOBGUJK-UHFFFAOYSA-N
MW634.90 g/mol
LogP11.02
Rot. Bonds8

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

5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine (PubChem CID 168810421) has the molecular formula C45H38N2Si and a molecular weight of 634.90 g/mol. Its IUPAC name is 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
PubChem CID168810421
Molecular FormulaC45H38N2Si
Molecular Weight634.90 g/mol
Exact Mass634.28
IUPAC Name5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C45H38N2Si/c1-48(2)44-21-13-12-20-42(44)43-31-30-41(33-45(43)48)47(38-18-10-5-11-19-38)40-28-24-35(25-29-40)32-34-22-26-39(27-23-34)46(36-14-6-3-7-15-36)37-16-8-4-9-17-37/h3-31,33H,32H2,1-2H3
InChIKeyJMHZKMISOBGUJK-UHFFFAOYSA-N
XLogP11.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.90
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine with MolForge

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Related Compounds

N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 170929734
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810236
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
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
4-[5,5-dimethyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-dimethyl-7-N-phenyl-3-N,3-N-bis(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilole-3,7-diamine;3-N,3-N,7-N,7-N,5,5-hexakis-phenylbenzo[b][1]benzosilole-3,7-diamine;3-N,7-N,5,5-tetraphenyl-3-N,7-N-bis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 157189815
N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 161337171
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
5,5-dimethyl-N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522931
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
20,20-dimethyl-N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140757012
5,5-dimethyl-N,N-di(phenanthren-9-yl)benzo[b][1]benzosilol-3-amine
CID 140728881

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine?
The IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine (CID 168810421) is 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine?
The canonical SMILES for 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine?
The InChIKey is JMHZKMISOBGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N2Si/c1-48(2)44-21-13-12-20-42(44)43-31-30-41(33-45(43)48)47(38-18-10-5-11-19-38)40-28-24-35(25-29-40)32-34-22-26-39(27-23-34)46(36-14-6-3-7-15-36)37-16-8-4-9-17-37/h3-31,33H,32H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine?
5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine has a molecular weight of 634.90 g/mol, XLogP of 11.02, 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-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 168810421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).