2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline

C93H84N10Si3 — CID 58251560

IUPAC2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c1
InChIInChI=1S/C93H84N10Si3/c1-104(2,3)82-52-55-88(85(58-82)91-94-61-70(62-95-91)67-40-46-79(47-41-67)100(73-28-16-10-17-29-73)74-30-18-11-19-31-74)103(89-56-53-83(105(4,5)6)59-86(89)92-96-63-71(64-97-92)68-42-48-80(49-43-68)101(75-32-20-12-21-33-75)76-34-22-13-23-35-76)90-57-54-84(106(7,8)9)60-87(90)93-98-65-72(66-99-93)69-44-50-81(51-45-69)102(77-36-24-14-25-37-77)78-38-26-15-27-39-78/h10-66H,1-9H3
InChIKeyJLWOWZXKJIBFFJ-UHFFFAOYSA-N
MW1426.02 g/mol
LogP23.57
Rot. Bonds21

About 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline

2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline (PubChem CID 58251560) has the molecular formula C93H84N10Si3 and a molecular weight of 1426.02 g/mol. Its IUPAC name is 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline.

Molecular Properties

Compound Name2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline
PubChem CID58251560
Molecular FormulaC93H84N10Si3
Molecular Weight1426.02 g/mol
Exact Mass1424.62
IUPAC Name2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c1
InChIInChI=1S/C93H84N10Si3/c1-104(2,3)82-52-55-88(85(58-82)91-94-61-70(62-95-91)67-40-46-79(47-41-67)100(73-28-16-10-17-29-73)74-30-18-11-19-31-74)103(89-56-53-83(105(4,5)6)59-86(89)92-96-63-71(64-97-92)68-42-48-80(49-43-68)101(75-32-20-12-21-33-75)76-34-22-13-23-35-76)90-57-54-84(106(7,8)9)60-87(90)93-98-65-72(66-99-93)69-44-50-81(51-45-69)102(77-36-24-14-25-37-77)78-38-26-15-27-39-78/h10-66H,1-9H3
InChIKeyJLWOWZXKJIBFFJ-UHFFFAOYSA-N
XLogP23.57
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001426.02
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline with MolForge

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Related Compounds

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,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-3,9-bis(trimethylsilyl)chrysen-6-yl]aniline
CID 58879315
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
CID 58132006
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine
CID 58511481
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline?
The IUPAC name of 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline (CID 58251560) is 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline.
What is the SMILES notation for 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline?
The canonical SMILES for 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline is C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c2ccc([Si](C)(C)C)cc2-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c(-c2ncc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cn2)c1.
What is the InChIKey of 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline?
The InChIKey is JLWOWZXKJIBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H84N10Si3/c1-104(2,3)82-52-55-88(85(58-82)91-94-61-70(62-95-91)67-40-46-79(47-41-67)100(73-28-16-10-17-29-73)74-30-18-11-19-31-74)103(89-56-53-83(105(4,5)6)59-86(89)92-96-63-71(64-97-92)68-42-48-80(49-43-68)101(75-32-20-12-21-33-75)76-34-22-13-23-35-76)90-57-54-84(106(7,8)9)60-87(90)93-98-65-72(66-99-93)69-44-50-81(51-45-69)102(77-36-24-14-25-37-77)78-38-26-15-27-39-78/h10-66H,1-9H3.
What are the key properties of 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline?
2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline has a molecular weight of 1426.02 g/mol, XLogP of 23.57, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-N,N-bis[2-[5-[4-(N-phenylanilino)phenyl]pyrimidin-2-yl]-4-trimethylsilylphenyl]-4-trimethylsilylaniline is sourced from PubChem (CID 58251560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).