2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline

C30H23N — CID 89183809

IUPAC2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H]
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/i3D,8D,9D,14D,15D
InChIKeyVXKVZTGWNITVPY-CEBJTGGESA-N
MW402.55 g/mol
LogP8.49
Rot. Bonds5

About 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline

2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline (PubChem CID 89183809) has the molecular formula C30H23N and a molecular weight of 402.55 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline
PubChem CID89183809
Molecular FormulaC30H23N
Molecular Weight402.55 g/mol
Exact Mass402.21
IUPAC Name2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H]
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/i3D,8D,9D,14D,15D
InChIKeyVXKVZTGWNITVPY-CEBJTGGESA-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 ≤ 500402.55
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6-pentadeuterio-N-[4-[3-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121295016
2,3,4,5,6-pentadeuterio-N-[4-[4-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]phenyl]phenyl]-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[4-[4-(2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]aniline
CID 162012615
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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
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
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-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
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline (CID 89183809) is 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is VXKVZTGWNITVPY-CEBJTGGESA-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/i3D,8D,9D,14D,15D.
What are the key properties of 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline?
2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 402.55 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 2,3,4,5,6-pentadeuterio-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 89183809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).