N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline

C60H44N2 — CID 121322799

IUPACN,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H44N2/c1-7-23-45(24-8-1)53-35-19-21-37-57(53)61(51-31-15-5-16-32-51)59-41-39-49(43-55(59)47-27-11-3-12-28-47)50-40-42-60(56(44-50)48-29-13-4-14-30-48)62(52-33-17-6-18-34-52)58-38-22-20-36-54(58)46-25-9-2-10-26-46/h1-44H
InChIKeyGNVIIPNMKFGFSU-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.96
Rot. Bonds11

About N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline

N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline (PubChem CID 121322799) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
PubChem CID121322799
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC NameN,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H44N2/c1-7-23-45(24-8-1)53-35-19-21-37-57(53)61(51-31-15-5-16-32-51)59-41-39-49(43-55(59)47-27-11-3-12-28-47)50-40-42-60(56(44-50)48-29-13-4-14-30-48)62(52-33-17-6-18-34-52)58-38-22-20-36-54(58)46-25-9-2-10-26-46/h1-44H
InChIKeyGNVIIPNMKFGFSU-UHFFFAOYSA-N
XLogP16.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline
CID 160837320
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline?
The IUPAC name of N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline (CID 121322799) is N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline?
The canonical SMILES for N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline?
The InChIKey is GNVIIPNMKFGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-7-23-45(24-8-1)53-35-19-21-37-57(53)61(51-31-15-5-16-32-51)59-41-39-49(43-55(59)47-27-11-3-12-28-47)50-40-42-60(56(44-50)48-29-13-4-14-30-48)62(52-33-17-6-18-34-52)58-38-22-20-36-54(58)46-25-9-2-10-26-46/h1-44H.
What are the key properties of N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline?
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline has a molecular weight of 793.03 g/mol, XLogP of 16.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 121322799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).