9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine

C54H41NO — CID 171452477

IUPAC9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C54H41NO/c1-53(2)47-20-9-6-15-45(47)51-39(16-12-21-48(51)53)34-23-27-36(28-24-34)55(38-31-32-42-41-13-5-8-19-46(41)54(3,4)49(42)33-38)37-29-25-35(26-30-37)40-17-11-18-44-43-14-7-10-22-50(43)56-52(40)44/h5-33H,1-4H3/i23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyWRNGTZJRMZKCER-YWSGCUSSSA-N
MW727.98 g/mol
LogP15.00
Rot. Bonds5

About 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine (PubChem CID 171452477) has the molecular formula C54H41NO and a molecular weight of 727.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine
PubChem CID171452477
Molecular FormulaC54H41NO
Molecular Weight727.98 g/mol
Exact Mass727.37
IUPAC Name9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C54H41NO/c1-53(2)47-20-9-6-15-45(47)51-39(16-12-21-48(51)53)34-23-27-36(28-24-34)55(38-31-32-42-41-13-5-8-19-46(41)54(3,4)49(42)33-38)37-29-25-35(26-30-37)40-17-11-18-44-43-14-7-10-22-50(43)56-52(40)44/h5-33H,1-4H3/i23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyWRNGTZJRMZKCER-YWSGCUSSSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.98
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine (CID 171452477) is 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4c3oc3ccccc34)c([2H])c2[2H])c([2H])c([2H])c1-c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine?
The InChIKey is WRNGTZJRMZKCER-YWSGCUSSSA-N. The full InChI is InChI=1S/C54H41NO/c1-53(2)47-20-9-6-15-45(47)51-39(16-12-21-48(51)53)34-23-27-36(28-24-34)55(38-31-32-42-41-13-5-8-19-46(41)54(3,4)49(42)33-38)37-29-25-35(26-30-37)40-17-11-18-44-43-14-7-10-22-50(43)56-52(40)44/h5-33H,1-4H3/i23D,24D,25D,26D,27D,28D,29D,30D.
What are the key properties of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine has a molecular weight of 727.98 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171452477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).