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

C47H35N — CID 171452264

IUPAC9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c1[2H]
InChIInChI=1S/C47H35N/c1-47(2)45-23-8-7-20-43(45)44-29-28-38(31-46(44)47)48(36-26-24-34(25-27-36)41-21-10-14-32-12-3-5-18-39(32)41)37-17-9-16-35(30-37)42-22-11-15-33-13-4-6-19-40(33)42/h3-31H,1-2H3/i9D,16D,17D,24D,25D,26D,27D,30D
InChIKeyILVHXJZCTLSMEV-LFNRNLABSA-N
MW621.85 g/mol
LogP13.10
Rot. Bonds5

About 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

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 (PubChem CID 171452264) has the molecular formula C47H35N and a molecular weight of 621.85 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-naphthalen-1-ylphenyl)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-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID171452264
Molecular FormulaC47H35N
Molecular Weight621.85 g/mol
Exact Mass621.33
IUPAC Name9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c1[2H]
InChIInChI=1S/C47H35N/c1-47(2)45-23-8-7-20-43(45)44-29-28-38(31-46(44)47)48(36-26-24-34(25-27-36)41-21-10-14-32-12-3-5-18-39(32)41)37-17-9-16-35(30-37)42-22-11-15-33-13-4-6-19-40(33)42/h3-31H,1-2H3/i9D,16D,17D,24D,25D,26D,27D,30D
InChIKeyILVHXJZCTLSMEV-LFNRNLABSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.85
LogP ≤ 513.10
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-naphthalen-1-ylphenyl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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
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-(3-naphthalen-2-ylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451334
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452884
9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 168767093
9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 168767521
N-phenanthren-2-yl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 171452706

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-naphthalen-1-ylphenyl)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-naphthalen-1-ylphenyl)fluoren-2-amine (CID 171452264) is 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.
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-naphthalen-1-ylphenyl)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-naphthalen-1-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[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-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is ILVHXJZCTLSMEV-LFNRNLABSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)45-23-8-7-20-43(45)44-29-28-38(31-46(44)47)48(36-26-24-34(25-27-36)41-21-10-14-32-12-3-5-18-39(32)41)37-17-9-16-35(30-37)42-22-11-15-33-13-4-6-19-40(33)42/h3-31H,1-2H3/i9D,16D,17D,24D,25D,26D,27D,30D.
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-naphthalen-1-ylphenyl)fluoren-2-amine?
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 has a molecular weight of 621.85 g/mol, XLogP of 13.10, 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-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).