N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline

C62H46F2N2 — CID 121322783

IUPACN-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(F)cc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C62H46F2N2/c1-43-39-51(27-35-59(43)65(55-31-23-47(24-32-55)45-15-7-3-8-16-45)61-37-29-53(63)41-57(61)49-19-11-5-12-20-49)52-28-36-60(44(2)40-52)66(56-33-25-48(26-34-56)46-17-9-4-10-18-46)62-38-30-54(64)42-58(62)50-21-13-6-14-22-50/h3-42H,1-2H3
InChIKeyHCJHZEVHCRYGMM-UHFFFAOYSA-N
MW857.06 g/mol
LogP17.86
Rot. Bonds11

About N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline

N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline (PubChem CID 121322783) has the molecular formula C62H46F2N2 and a molecular weight of 857.06 g/mol. Its IUPAC name is N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
PubChem CID121322783
Molecular FormulaC62H46F2N2
Molecular Weight857.06 g/mol
Exact Mass856.36
IUPAC NameN-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(F)cc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C62H46F2N2/c1-43-39-51(27-35-59(43)65(55-31-23-47(24-32-55)45-15-7-3-8-16-45)61-37-29-53(63)41-57(61)49-19-11-5-12-20-49)52-28-36-60(44(2)40-52)66(56-33-25-48(26-34-56)46-17-9-4-10-18-46)62-38-30-54(64)42-58(62)50-21-13-6-14-22-50/h3-42H,1-2H3
InChIKeyHCJHZEVHCRYGMM-UHFFFAOYSA-N
XLogP17.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.06
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397
N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
CID 121322800
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(2-methyl-4-phenylphenyl)pyrene-1,6-diamine
CID 129062606
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline (CID 121322783) is N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(F)cc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1-c1ccccc1.
What is the InChIKey of N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline?
The InChIKey is HCJHZEVHCRYGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46F2N2/c1-43-39-51(27-35-59(43)65(55-31-23-47(24-32-55)45-15-7-3-8-16-45)61-37-29-53(63)41-57(61)49-19-11-5-12-20-49)52-28-36-60(44(2)40-52)66(56-33-25-48(26-34-56)46-17-9-4-10-18-46)62-38-30-54(64)42-58(62)50-21-13-6-14-22-50/h3-42H,1-2H3.
What are the key properties of N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline?
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline has a molecular weight of 857.06 g/mol, XLogP of 17.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121322783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).