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

C57H41NO — CID 171451744

IUPAC2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C57H41NO/c1-57(2)52-19-8-6-14-49(52)50-18-10-17-48(56(50)57)43-30-36-46(37-31-43)58(44-32-26-41(27-33-44)40-24-22-39(23-25-40)38-12-4-3-5-13-38)45-34-28-42(29-35-45)47-16-11-21-54-55(47)51-15-7-9-20-53(51)59-54/h3-37H,1-2H3/i26D,27D,28D,29D,32D,33D,34D,35D
InChIKeyFFUKKDGYOGLTRD-FAEFDFKZSA-N
MW764.01 g/mol
LogP16.03
Rot. Bonds7

About 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

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 (PubChem CID 171451744) has the molecular formula C57H41NO and a molecular weight of 764.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
PubChem CID171451744
Molecular FormulaC57H41NO
Molecular Weight764.01 g/mol
Exact Mass763.37
IUPAC Name2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C57H41NO/c1-57(2)52-19-8-6-14-49(52)50-18-10-17-48(56(50)57)43-30-36-46(37-31-43)58(44-32-26-41(27-33-44)40-24-22-39(23-25-40)38-12-4-3-5-13-38)45-34-28-42(29-35-45)47-16-11-21-54-55(47)51-15-7-9-20-53(51)59-54/h3-37H,1-2H3/i26D,27D,28D,29D,32D,33D,34D,35D
InChIKeyFFUKKDGYOGLTRD-FAEFDFKZSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.01
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)aniline
CID 171452829
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451237
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
CID 170217743
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 171452730
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
CID 176763185
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-(3-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171451556
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2c([2H])c([2H])c(-c3cccc4oc5ccccc5c34)c([2H])c2[2H])c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is FFUKKDGYOGLTRD-FAEFDFKZSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)52-19-8-6-14-49(52)50-18-10-17-48(56(50)57)43-30-36-46(37-31-43)58(44-32-26-41(27-33-44)40-24-22-39(23-25-40)38-12-4-3-5-13-38)45-34-28-42(29-35-45)47-16-11-21-54-55(47)51-15-7-9-20-53(51)59-54/h3-37H,1-2H3/i26D,27D,28D,29D,32D,33D,34D,35D.
What are the key properties of 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?
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 has a molecular weight of 764.01 g/mol, XLogP of 16.03, 7 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-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline is sourced from PubChem (CID 171451744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).