9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine

C43H33N — CID 171451823

IUPAC9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c(-c4cccc5ccccc45)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C43H33N/c1-43(2)41-21-9-8-19-39(41)40-27-26-36(29-42(40)43)44(34-24-22-31(23-25-34)30-12-4-3-5-13-30)35-17-10-16-33(28-35)38-20-11-15-32-14-6-7-18-37(32)38/h3-29H,1-2H3/i3D,4D,5D,10D,12D,13D,16D,17D,22D,23D,24D,25D,28D
InChIKeyKTYRVEPOFNDDTK-VLGLLGHISA-N
MW576.82 g/mol
LogP11.95
Rot. Bonds5

About 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine (PubChem CID 171451823) has the molecular formula C43H33N and a molecular weight of 576.82 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
PubChem CID171451823
Molecular FormulaC43H33N
Molecular Weight576.82 g/mol
Exact Mass576.34
IUPAC Name9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c(-c4cccc5ccccc45)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C43H33N/c1-43(2)41-21-9-8-19-39(41)40-27-26-36(29-42(40)43)44(34-24-22-31(23-25-34)30-12-4-3-5-13-30)35-17-10-16-33(28-35)38-20-11-15-32-14-6-7-18-37(32)38/h3-29H,1-2H3/i3D,4D,5D,10D,12D,13D,16D,17D,22D,23D,24D,25D,28D
InChIKeyKTYRVEPOFNDDTK-VLGLLGHISA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.82
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452264
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451632
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-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452358
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451334
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
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451876
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451470
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451854
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452884
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]aniline
CID 171451292

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine (CID 171451823) is 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c(-c4cccc5ccccc45)c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?
The InChIKey is KTYRVEPOFNDDTK-VLGLLGHISA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)41-21-9-8-19-39(41)40-27-26-36(29-42(40)43)44(34-24-22-31(23-25-34)30-12-4-3-5-13-30)35-17-10-16-33(28-35)38-20-11-15-32-14-6-7-18-37(32)38/h3-29H,1-2H3/i3D,4D,5D,10D,12D,13D,16D,17D,22D,23D,24D,25D,28D.
What are the key properties of 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine has a molecular weight of 576.82 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171451823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).