N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline

C36H28N2O — CID 59196878

IUPACN-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccccc2)c2ccc(Oc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O/c1-5-13-29(14-6-1)37(30-15-7-2-8-16-30)33-21-25-35(26-22-33)39-36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28H/i5T
InChIKeyCIEDPTNTMUYRJI-XHHURNKPSA-N
MW506.64 g/mol
LogP10.42
Rot. Bonds8

About N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline

N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline (PubChem CID 59196878) has the molecular formula C36H28N2O and a molecular weight of 506.64 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
PubChem CID59196878
Molecular FormulaC36H28N2O
Molecular Weight506.64 g/mol
Exact Mass506.23
IUPAC NameN-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccccc2)c2ccc(Oc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C36H28N2O/c1-5-13-29(14-6-1)37(30-15-7-2-8-16-30)33-21-25-35(26-22-33)39-36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28H/i5T
InChIKeyCIEDPTNTMUYRJI-XHHURNKPSA-N
XLogP10.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline
CID 59196824
N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenoxy]-N-(4-tritiophenyl)aniline;N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenyl]phenoxy]phenyl]phenyl]-4-tritioaniline;N-phenyl-3-tritio-N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]aniline;N-phenyl-3-tritio-N-[4-[4-(N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 160846288
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
N-phenyl-3-tritio-N-(4-tritiophenyl)aniline
CID 59196983
N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59196859
N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59197011
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
CID 59196961
3,5-diphenoxy-N,N-diphenylaniline
CID 158962448
N-[3-[3,5-bis[3-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-3-tritioaniline
CID 59196957
4-(4-nitrophenoxy)-N,N-diphenylaniline
CID 132556433

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline?
The IUPAC name of N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline (CID 59196878) is N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline?
The canonical SMILES for N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline is [3H]c1cccc(N(c2ccccc2)c2ccc(Oc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1.
What is the InChIKey of N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline?
The InChIKey is CIEDPTNTMUYRJI-XHHURNKPSA-N. The full InChI is InChI=1S/C36H28N2O/c1-5-13-29(14-6-1)37(30-15-7-2-8-16-30)33-21-25-35(26-22-33)39-36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28H/i5T.
What are the key properties of N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline?
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline has a molecular weight of 506.64 g/mol, XLogP of 10.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline is sourced from PubChem (CID 59196878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).