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

C30H23N — CID 59196859

IUPACN-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
SMILES[3H]c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc([3H])c3)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,8T
InChIKeyVXKVZTGWNITVPY-SDFBUKBISA-N
MW401.54 g/mol
LogP8.49
Rot. Bonds5

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

N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline (PubChem CID 59196859) has the molecular formula C30H23N and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
PubChem CID59196859
Molecular FormulaC30H23N
Molecular Weight401.54 g/mol
Exact Mass401.20
IUPAC NameN-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
SMILES[3H]c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc([3H])c3)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,8T
InChIKeyVXKVZTGWNITVPY-SDFBUKBISA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline?
The IUPAC name of N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline (CID 59196859) is N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline.
What is the SMILES notation for N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline?
The canonical SMILES for N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline is [3H]c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc([3H])c3)cc2)c1.
What is the InChIKey of N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline?
The InChIKey is VXKVZTGWNITVPY-SDFBUKBISA-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,8T.
What are the key properties of N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline?
N-(4-phenylphenyl)-3-tritio-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-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline is sourced from PubChem (CID 59196859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).