N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline

C65H54N2 — CID 145358193

IUPACN-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1cc(-c2ccc(N(C)c3cccc(-c4ccccc4C)c3C)c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)ccc1C
InChIInChI=1S/C65H54N2/c1-45-20-15-17-28-59(45)61-30-19-31-64(48(61)4)66(5)65-39-36-53(52-33-32-47(3)62(43-52)60-29-18-16-21-46(60)2)44-63(65)51-34-37-57(38-35-51)67(56-26-13-8-14-27-56)58-41-54(49-22-9-6-10-23-49)40-55(42-58)50-24-11-7-12-25-50/h6-44H,1-5H3
InChIKeyDKQUAFAYCLZEPH-UHFFFAOYSA-N
MW863.16 g/mol
LogP18.16
Rot. Bonds11

About N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline

N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline (PubChem CID 145358193) has the molecular formula C65H54N2 and a molecular weight of 863.16 g/mol. Its IUPAC name is N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline
PubChem CID145358193
Molecular FormulaC65H54N2
Molecular Weight863.16 g/mol
Exact Mass862.43
IUPAC NameN-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1cc(-c2ccc(N(C)c3cccc(-c4ccccc4C)c3C)c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)ccc1C
InChIInChI=1S/C65H54N2/c1-45-20-15-17-28-59(45)61-30-19-31-64(48(61)4)66(5)65-39-36-53(52-33-32-47(3)62(43-52)60-29-18-16-21-46(60)2)44-63(65)51-34-37-57(38-35-51)67(56-26-13-8-14-27-56)58-41-54(49-22-9-6-10-23-49)40-55(42-58)50-24-11-7-12-25-50/h6-44H,1-5H3
InChIKeyDKQUAFAYCLZEPH-UHFFFAOYSA-N
XLogP18.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.16
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N-(4-dibenzothiophen-4-ylphenyl)-4-[4-methyl-3-(2-methylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144579175
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline?
The IUPAC name of N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline (CID 145358193) is N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline.
What is the SMILES notation for N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline?
The canonical SMILES for N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline is Cc1ccccc1-c1cc(-c2ccc(N(C)c3cccc(-c4ccccc4C)c3C)c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)ccc1C.
What is the InChIKey of N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline?
The InChIKey is DKQUAFAYCLZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H54N2/c1-45-20-15-17-28-59(45)61-30-19-31-64(48(61)4)66(5)65-39-36-53(52-33-32-47(3)62(43-52)60-29-18-16-21-46(60)2)44-63(65)51-34-37-57(38-35-51)67(56-26-13-8-14-27-56)58-41-54(49-22-9-6-10-23-49)40-55(42-58)50-24-11-7-12-25-50/h6-44H,1-5H3.
What are the key properties of N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline?
N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline has a molecular weight of 863.16 g/mol, XLogP of 18.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-N,2-dimethyl-3-(2-methylphenyl)aniline is sourced from PubChem (CID 145358193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).