N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline

C30H23N — CID 59197011

IUPACN-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
SMILES[3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc([3H])c4)cc3)cc2)c1
InChIInChI=1S/C30H23N/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H/i4T,6T
InChIKeyVXKVZTGWNITVPY-OOXUDHARSA-N
MW401.54 g/mol
LogP8.49
Rot. Bonds5

About N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline

N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline (PubChem CID 59197011) has the molecular formula C30H23N and a molecular weight of 401.54 g/mol. Its IUPAC name is N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
PubChem CID59197011
Molecular FormulaC30H23N
Molecular Weight401.54 g/mol
Exact Mass401.20
IUPAC NameN-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
SMILES[3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc([3H])c4)cc3)cc2)c1
InChIInChI=1S/C30H23N/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H/i4T,6T
InChIKeyVXKVZTGWNITVPY-OOXUDHARSA-N
XLogP8.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59196859
4-N-(4-phenylphenyl)-1-N,1-N-bis[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59196989
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159489320
3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
CID 59196961

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline (CID 59197011) is N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline is [3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc([3H])c4)cc3)cc2)c1.
What is the InChIKey of N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline?
The InChIKey is VXKVZTGWNITVPY-OOXUDHARSA-N. The full InChI is InChI=1S/C30H23N/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H/i4T,6T.
What are the key properties of N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline?
N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline has a molecular weight of 401.54 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline is sourced from PubChem (CID 59197011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).