2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

C42H29NO — CID 171452829

IUPAC2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-17-41-42(38)39-14-7-8-16-40(39)44-41/h1-29H/i18D,19D,20D,21D,24D,25D,26D,27D
InChIKeyUGSNJKMPUDMKFN-QZUSESEQSA-N
MW571.75 g/mol
LogP12.06
Rot. Bonds6

About 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline

2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (PubChem CID 171452829) has the molecular formula C42H29NO and a molecular weight of 571.75 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
PubChem CID171452829
Molecular FormulaC42H29NO
Molecular Weight571.75 g/mol
Exact Mass571.28
IUPAC Name2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-17-41-42(38)39-14-7-8-16-40(39)44-41/h1-29H/i18D,19D,20D,21D,24D,25D,26D,27D
InChIKeyUGSNJKMPUDMKFN-QZUSESEQSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.75
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451237
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
CID 171451744
2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]aniline
CID 176810450
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451079
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 171451664

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline (CID 171452829) is 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2c([2H])c([2H])c(-c3ccccc3)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
The InChIKey is UGSNJKMPUDMKFN-QZUSESEQSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-17-41-42(38)39-14-7-8-16-40(39)44-41/h1-29H/i18D,19D,20D,21D,24D,25D,26D,27D.
What are the key properties of 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline?
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline has a molecular weight of 571.75 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline is sourced from PubChem (CID 171452829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).