N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C55H41N — CID 146556750

IUPACN-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1-c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)c1
InChIInChI=1S/C55H41N/c1-40-12-8-9-21-55(40)51-20-11-19-50(39-51)47-30-36-54(37-31-47)56(52-32-26-45(27-33-52)44-24-22-43(23-25-44)41-13-4-2-5-14-41)53-34-28-46(29-35-53)49-18-10-17-48(38-49)42-15-6-3-7-16-42/h2-39H,1H3
InChIKeyMPILUJXAKMNZAO-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.47
Rot. Bonds9

About N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 146556750) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID146556750
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1-c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)c1
InChIInChI=1S/C55H41N/c1-40-12-8-9-21-55(40)51-20-11-19-50(39-51)47-30-36-54(37-31-47)56(52-32-26-45(27-33-52)44-24-22-43(23-25-44)41-13-4-2-5-14-41)53-34-28-46(29-35-53)49-18-10-17-48(38-49)42-15-6-3-7-16-42/h2-39H,1H3
InChIKeyMPILUJXAKMNZAO-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
CID 153357627
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 146556750) is N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is Cc1ccccc1-c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)c1.
What is the InChIKey of N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is MPILUJXAKMNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-40-12-8-9-21-55(40)51-20-11-19-50(39-51)47-30-36-54(37-31-47)56(52-32-26-45(27-33-52)44-24-22-43(23-25-44)41-13-4-2-5-14-41)53-34-28-46(29-35-53)49-18-10-17-48(38-49)42-15-6-3-7-16-42/h2-39H,1H3.
What are the key properties of N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 715.94 g/mol, XLogP of 15.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 146556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).