2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

C24H19N — CID 177069730

IUPAC2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(Nc2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H19N/c1-3-11-19(12-4-1)21-15-7-8-16-22(21)23-17-9-10-18-24(23)25-20-13-5-2-6-14-20/h1-18,25H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D
InChIKeyWJOZUXJBWJTHQQ-QICNJPGCSA-N
MW339.53 g/mol
LogP6.76
Rot. Bonds4

About 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline

2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (PubChem CID 177069730) has the molecular formula C24H19N and a molecular weight of 339.53 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
PubChem CID177069730
Molecular FormulaC24H19N
Molecular Weight339.53 g/mol
Exact Mass339.26
IUPAC Name2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(Nc2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H19N/c1-3-11-19(12-4-1)21-15-7-8-16-22(21)23-17-9-10-18-24(23)25-20-13-5-2-6-14-20/h1-18,25H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D
InChIKeyWJOZUXJBWJTHQQ-QICNJPGCSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

1,2,3,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine
CID 177287383
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]phenyl]anthracene
CID 166587652
2,3,5,6-tetradeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 177069584
1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
CID 167703253
4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine
CID 140891939
4,12-bis[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11,13,15-nonaen-19-one
CID 88865416
N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 164931155
4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline;4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]aniline;2,3,5,6-tetradeuterio-N-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 160545083
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 153474303
4-(2,3,4,5,6-pentadeuteriophenyl)triazine
CID 175811041
3,4,5,6-tetradeuterio-N-(2,3,4,5,6-pentadeuteriophenyl)-13-oxa-1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine
CID 164930481
1,2,3,7,8,9-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167407088

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The IUPAC name of 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline (CID 177069730) is 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(Nc2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
The InChIKey is WJOZUXJBWJTHQQ-QICNJPGCSA-N. The full InChI is InChI=1S/C24H19N/c1-3-11-19(12-4-1)21-15-7-8-16-22(21)23-17-9-10-18-24(23)25-20-13-5-2-6-14-20/h1-18,25H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D.
What are the key properties of 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline?
2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline has a molecular weight of 339.53 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentadeuterio-N-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 177069730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).