N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C42H42N2Si — CID 71342733

IUPACN-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc([Si](C)(C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H42N2Si/c1-31-7-15-35(16-8-31)43(36-17-9-32(2)10-18-36)39-23-27-41(28-24-39)45(5,6)42-29-25-40(26-30-42)44(37-19-11-33(3)12-20-37)38-21-13-34(4)14-22-38/h7-30H,1-6H3
InChIKeyWBCWETCNFTUFFD-UHFFFAOYSA-N
MW602.90 g/mol
LogP10.68
Rot. Bonds8

About N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 71342733) has the molecular formula C42H42N2Si and a molecular weight of 602.90 g/mol. Its IUPAC name is N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID71342733
Molecular FormulaC42H42N2Si
Molecular Weight602.90 g/mol
Exact Mass602.31
IUPAC NameN-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc([Si](C)(C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H42N2Si/c1-31-7-15-35(16-8-31)43(36-17-9-32(2)10-18-36)39-23-27-41(28-24-39)45(5,6)42-29-25-40(26-30-42)44(37-19-11-33(3)12-20-37)38-21-13-34(4)14-22-38/h7-30H,1-6H3
InChIKeyWBCWETCNFTUFFD-UHFFFAOYSA-N
XLogP10.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.90
LogP ≤ 510.68
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-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22620902
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-[4-[4-(N-[4-[methoxy(dimethyl)silyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214598
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 71342733) is N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc([Si](C)(C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is WBCWETCNFTUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N2Si/c1-31-7-15-35(16-8-31)43(36-17-9-32(2)10-18-36)39-23-27-41(28-24-39)45(5,6)42-29-25-40(26-30-42)44(37-19-11-33(3)12-20-37)38-21-13-34(4)14-22-38/h7-30H,1-6H3.
What are the key properties of N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 602.90 g/mol, XLogP of 10.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 71342733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).