4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline

C75H59NSi — CID 58132006

IUPAC4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C75H59NSi/c1-77(2,3)69-46-35-56(36-47-69)65-39-50-72(59-27-17-8-18-28-59)75(53-65)62-33-44-68(45-34-62)76(66-40-29-60(30-41-66)73-51-63(54-19-9-4-10-20-54)37-48-70(73)57-23-13-6-14-24-57)67-42-31-61(32-43-67)74-52-64(55-21-11-5-12-22-55)38-49-71(74)58-25-15-7-16-26-58/h4-53H,1-3H3
InChIKeyNNSXBIOCIQJNCQ-UHFFFAOYSA-N
MW1002.39 g/mol
LogP20.70
Rot. Bonds13

About 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline

4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline (PubChem CID 58132006) has the molecular formula C75H59NSi and a molecular weight of 1002.39 g/mol. Its IUPAC name is 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
PubChem CID58132006
Molecular FormulaC75H59NSi
Molecular Weight1002.39 g/mol
Exact Mass1001.44
IUPAC Name4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C75H59NSi/c1-77(2,3)69-46-35-56(36-47-69)65-39-50-72(59-27-17-8-18-28-59)75(53-65)62-33-44-68(45-34-62)76(66-40-29-60(30-41-66)73-51-63(54-19-9-4-10-20-54)37-48-70(73)57-23-13-6-14-24-57)67-42-31-61(32-43-67)74-52-64(55-21-11-5-12-22-55)38-49-71(74)58-25-15-7-16-26-58/h4-53H,1-3H3
InChIKeyNNSXBIOCIQJNCQ-UHFFFAOYSA-N
XLogP20.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.39
LogP ≤ 520.70
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-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-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline (CID 58132006) is 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline is C[Si](C)(C)c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline?
The InChIKey is NNSXBIOCIQJNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H59NSi/c1-77(2,3)69-46-35-56(36-47-69)65-39-50-72(59-27-17-8-18-28-59)75(53-65)62-33-44-68(45-34-62)76(66-40-29-60(30-41-66)73-51-63(54-19-9-4-10-20-54)37-48-70(73)57-23-13-6-14-24-57)67-42-31-61(32-43-67)74-52-64(55-21-11-5-12-22-55)38-49-71(74)58-25-15-7-16-26-58/h4-53H,1-3H3.
What are the key properties of 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline?
4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline has a molecular weight of 1002.39 g/mol, XLogP of 20.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 58132006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).