N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine

C49H42N2Si — CID 165040481

IUPACN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C49H42N2Si/c1-52(2,3)49-34-32-47(33-35-49)51(48-31-26-37-12-10-11-13-42(37)36-48)46-29-24-41(25-30-46)39-20-18-38(19-21-39)40-22-27-45(28-23-40)50(43-14-6-4-7-15-43)44-16-8-5-9-17-44/h4-36H,1-3H3
InChIKeyCSJABLBFXIVRCU-UHFFFAOYSA-N
MW686.98 g/mol
LogP13.66
Rot. Bonds9

About N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine

N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine (PubChem CID 165040481) has the molecular formula C49H42N2Si and a molecular weight of 686.98 g/mol. Its IUPAC name is N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
PubChem CID165040481
Molecular FormulaC49H42N2Si
Molecular Weight686.98 g/mol
Exact Mass686.31
IUPAC NameN-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C49H42N2Si/c1-52(2,3)49-34-32-47(33-35-49)51(48-31-26-37-12-10-11-13-42(37)36-48)46-29-24-41(25-30-46)39-20-18-38(19-21-39)40-22-27-45(28-23-40)50(43-14-6-4-7-15-43)44-16-8-5-9-17-44/h4-36H,1-3H3
InChIKeyCSJABLBFXIVRCU-UHFFFAOYSA-N
XLogP13.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.98
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N,N-diphenyl-4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
CID 165073252
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]naphthalen-2-amine
CID 59720596
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine (CID 165040481) is N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine is C[Si](C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The InChIKey is CSJABLBFXIVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2Si/c1-52(2,3)49-34-32-47(33-35-49)51(48-31-26-37-12-10-11-13-42(37)36-48)46-29-24-41(25-30-46)39-20-18-38(19-21-39)40-22-27-45(28-23-40)50(43-14-6-4-7-15-43)44-16-8-5-9-17-44/h4-36H,1-3H3.
What are the key properties of N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine has a molecular weight of 686.98 g/mol, XLogP of 13.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine is sourced from PubChem (CID 165040481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).