N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine

C41H31N — CID 171452423

IUPACN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C41H31N/c1-41(2)38-19-8-7-18-36(38)37-24-23-34(27-39(37)41)42(40-20-10-14-29-12-5-6-17-35(29)40)33-16-9-15-31(26-33)32-22-21-28-11-3-4-13-30(28)25-32/h3-27H,1-2H3/i5D,6D,10D,12D,14D,17D,20D
InChIKeyMZXLTQRXSDHAJT-MTVPZTTDSA-N
MW544.75 g/mol
LogP11.44
Rot. Bonds4

About N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 171452423) has the molecular formula C41H31N and a molecular weight of 544.75 g/mol. Its IUPAC name is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
PubChem CID171452423
Molecular FormulaC41H31N
Molecular Weight544.75 g/mol
Exact Mass544.29
IUPAC NameN-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C41H31N/c1-41(2)38-19-8-7-18-36(38)37-24-23-34(27-39(37)41)42(40-20-10-14-29-12-5-6-17-35(29)40)33-16-9-15-31(26-33)32-22-21-28-11-3-4-13-30(28)25-32/h3-27H,1-2H3/i5D,6D,10D,12D,14D,17D,20D
InChIKeyMZXLTQRXSDHAJT-MTVPZTTDSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.75
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-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

N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171451041
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-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-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
CID 171452515
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
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 167330314
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
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
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 162480250
2,3,4,5,6,7,8-heptadeuterio-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 171452674

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine (CID 171452423) is N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c2c(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The InChIKey is MZXLTQRXSDHAJT-MTVPZTTDSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)38-19-8-7-18-36(38)37-24-23-34(27-39(37)41)42(40-20-10-14-29-12-5-6-17-35(29)40)33-16-9-15-31(26-33)32-22-21-28-11-3-4-13-30(28)25-32/h3-27H,1-2H3/i5D,6D,10D,12D,14D,17D,20D.
What are the key properties of N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 544.75 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171452423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).