N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline

C64H63NSiSn — CID 58132054

IUPACN-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([Sn](C)(C)C)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C61H54NSi.3CH3.Sn/c1-61(2,3)56-31-21-45(22-32-56)51-16-11-18-53(42-51)47-25-35-58(36-26-47)62(57-33-23-46(24-34-57)52-17-10-15-50(41-52)44-13-8-7-9-14-44)59-37-27-48(28-38-59)54-19-12-20-55(43-54)49-29-39-60(40-30-49)63(4,5)6;;;;/h8-43H,1-6H3;3*1H3;
InChIKeyBHGSWUCUGKEJGL-UHFFFAOYSA-N
MW993.01 g/mol
LogP17.55
Rot. Bonds11

About N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline

N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline (PubChem CID 58132054) has the molecular formula C64H63NSiSn and a molecular weight of 993.01 g/mol. Its IUPAC name is N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline
PubChem CID58132054
Molecular FormulaC64H63NSiSn
Molecular Weight993.01 g/mol
Exact Mass993.38
IUPAC NameN-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([Sn](C)(C)C)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C61H54NSi.3CH3.Sn/c1-61(2,3)56-31-21-45(22-32-56)51-16-11-18-53(42-51)47-25-35-58(36-26-47)62(57-33-23-46(24-34-57)52-17-10-15-50(41-52)44-13-8-7-9-14-44)59-37-27-48(28-38-59)54-19-12-20-55(43-54)49-29-39-60(40-30-49)63(4,5)6;;;;/h8-43H,1-6H3;3*1H3;
InChIKeyBHGSWUCUGKEJGL-UHFFFAOYSA-N
XLogP17.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.01
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[4-(3-phenylphenyl)phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]aniline;4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158178625
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
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
4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 132556945
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
CID 59838914
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-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
CID 58132006
4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 155784369
trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
CID 58390070
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
(4-tert-butylphenyl)-trimethylsilane
CID 605751
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 90097413

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline (CID 58132054) is N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline is CC(C)(C)c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([Si](C)(C)C)cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([Sn](C)(C)C)cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline?
The InChIKey is BHGSWUCUGKEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54NSi.3CH3.Sn/c1-61(2,3)56-31-21-45(22-32-56)51-16-11-18-53(42-51)47-25-35-58(36-26-47)62(57-33-23-46(24-34-57)52-17-10-15-50(41-52)44-13-8-7-9-14-44)59-37-27-48(28-38-59)54-19-12-20-55(43-54)49-29-39-60(40-30-49)63(4,5)6;;;;/h8-43H,1-6H3;3*1H3;.
What are the key properties of N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline?
N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline has a molecular weight of 993.01 g/mol, XLogP of 17.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-tert-butylphenyl)phenyl]phenyl]-4-[3-(4-trimethylsilylphenyl)phenyl]-N-[4-[3-(4-trimethylstannylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 58132054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).