9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine

C55H41N — CID 171452097

IUPAC9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C55H41N/c1-55(2)53-18-9-8-17-51(53)52-34-33-50(37-54(52)55)56(48-29-25-42(26-30-48)41-21-19-40(20-22-41)38-11-4-3-5-12-38)49-31-27-43(28-32-49)45-15-10-16-46(35-45)47-24-23-39-13-6-7-14-44(39)36-47/h3-37H,1-2H3/i3D,4D,5D,11D,12D,19D,20D,21D,22D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyJADLNGCYJZUULO-DHBUVESWSA-N
MW733.04 g/mol
LogP15.28
Rot. Bonds7

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

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 171452097) has the molecular formula C55H41N and a molecular weight of 733.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID171452097
Molecular FormulaC55H41N
Molecular Weight733.04 g/mol
Exact Mass732.43
IUPAC Name9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C55H41N/c1-55(2)53-18-9-8-17-51(53)52-34-33-50(37-54(52)55)56(48-29-25-42(26-30-48)41-21-19-40(20-22-41)38-11-4-3-5-12-38)49-31-27-43(28-32-49)45-15-10-16-46(35-45)47-24-23-39-13-6-7-14-44(39)36-47/h3-37H,1-2H3/i3D,4D,5D,11D,12D,19D,20D,21D,22D,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyJADLNGCYJZUULO-DHBUVESWSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.04
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171451946
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 171450914
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
CID 171452515
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451310
9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452671
9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171452610
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171452575
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451967
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171452423
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451334

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine (CID 171452097) is 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c([2H])c([2H])c(-c5cccc(-c6ccc7ccccc7c6)c5)c([2H])c4[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is JADLNGCYJZUULO-DHBUVESWSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)53-18-9-8-17-51(53)52-34-33-50(37-54(52)55)56(48-29-25-42(26-30-48)41-21-19-40(20-22-41)38-11-4-3-5-12-38)49-31-27-43(28-32-49)45-15-10-16-46(35-45)47-24-23-39-13-6-7-14-44(39)36-47/h3-37H,1-2H3/i3D,4D,5D,11D,12D,19D,20D,21D,22D,25D,26D,27D,28D,29D,30D,31D,32D.
What are the key properties of 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 733.04 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 171452097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).