N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine

C46H38N2Si — CID 59390751

IUPACN-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)nc1
InChIInChI=1S/C46H38N2Si/c1-49(2,3)37-30-31-44(47-32-37)48(35-18-8-5-9-19-35)36-28-26-34(27-29-36)45-40-22-12-14-24-42(40)46(43-25-15-13-23-41(43)45)39-21-11-10-20-38(39)33-16-6-4-7-17-33/h4-32H,1-3H3
InChIKeyDGJKUHNYLMPPMD-UHFFFAOYSA-N
MW646.91 g/mol
LogP12.40
Rot. Bonds7

About N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine

N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine (PubChem CID 59390751) has the molecular formula C46H38N2Si and a molecular weight of 646.91 g/mol. Its IUPAC name is N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine
PubChem CID59390751
Molecular FormulaC46H38N2Si
Molecular Weight646.91 g/mol
Exact Mass646.28
IUPAC NameN-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)nc1
InChIInChI=1S/C46H38N2Si/c1-49(2,3)37-30-31-44(47-32-37)48(35-18-8-5-9-19-35)36-28-26-34(27-29-36)45-40-22-12-14-24-42(40)46(43-25-15-13-23-41(43)45)39-21-11-10-20-38(39)33-16-6-4-7-17-33/h4-32H,1-3H3
InChIKeyDGJKUHNYLMPPMD-UHFFFAOYSA-N
XLogP12.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.91
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390895
N,N-bis(4-trimethylsilylphenyl)-4-[10-[3-[10-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]aniline
CID 59194308
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
CID 168837037
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
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
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine
CID 59390787
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine?
The IUPAC name of N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine (CID 59390751) is N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine?
The canonical SMILES for N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)nc1.
What is the InChIKey of N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine?
The InChIKey is DGJKUHNYLMPPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2Si/c1-49(2,3)37-30-31-44(47-32-37)48(35-18-8-5-9-19-35)36-28-26-34(27-29-36)45-40-22-12-14-24-42(40)46(43-25-15-13-23-41(43)45)39-21-11-10-20-38(39)33-16-6-4-7-17-33/h4-32H,1-3H3.
What are the key properties of N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine?
N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine has a molecular weight of 646.91 g/mol, XLogP of 12.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-5-trimethylsilylpyridin-2-amine is sourced from PubChem (CID 59390751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).