3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline

C30H23N — CID 59196961

IUPAC3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
SMILES[3H]c1cccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H23N/c1-4-11-24(12-5-1)26-19-21-29(22-20-26)31(28-16-8-3-9-17-28)30-18-10-15-27(23-30)25-13-6-2-7-14-25/h1-23H/i8T
InChIKeyQGOACORVIMHDDL-WTRHXODISA-N
MW399.53 g/mol
LogP8.49
Rot. Bonds5

About 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline

3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline (PubChem CID 59196961) has the molecular formula C30H23N and a molecular weight of 399.53 g/mol. Its IUPAC name is 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
PubChem CID59196961
Molecular FormulaC30H23N
Molecular Weight399.53 g/mol
Exact Mass399.19
IUPAC Name3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
SMILES[3H]c1cccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C30H23N/c1-4-11-24(12-5-1)26-19-21-29(22-20-26)31(28-16-8-3-9-17-28)30-18-10-15-27(23-30)25-13-6-2-7-14-25/h1-23H/i8T
InChIKeyQGOACORVIMHDDL-WTRHXODISA-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 ≤ 500399.53
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[3,5-bis[3-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-3-tritioaniline;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;N-phenyl-3-tritio-N-[4-[4-[N-(3-tritiophenyl)-4-[4-(N-(3-tritiophenyl)anilino)phenyl]anilino]phenyl]phenyl]aniline
CID 159667665
N-[3-[3,5-bis[3-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-3-tritioaniline
CID 59196957
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
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
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
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59196859
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59197011

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline?
The IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline (CID 59196961) is 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline.
What is the SMILES notation for 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline?
The canonical SMILES for 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline is [3H]c1cccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline?
The InChIKey is QGOACORVIMHDDL-WTRHXODISA-N. The full InChI is InChI=1S/C30H23N/c1-4-11-24(12-5-1)26-19-21-29(22-20-26)31(28-16-8-3-9-17-28)30-18-10-15-27(23-30)25-13-6-2-7-14-25/h1-23H/i8T.
What are the key properties of 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline?
3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline has a molecular weight of 399.53 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 3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline is sourced from PubChem (CID 59196961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).