N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline

C39H43N3 — CID 58637057

IUPACN-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline
SMILESCc1cc(C)c(C(Nc2c(C(C)C)cccc2C(C)C)c2nc(C3c4ccccc4-c4ccccc43)cn2C)c(C)c1
InChIInChI=1S/C39H43N3/c1-23(2)28-18-13-19-29(24(3)4)37(28)41-38(35-26(6)20-25(5)21-27(35)7)39-40-34(22-42(39)8)36-32-16-11-9-14-30(32)31-15-10-12-17-33(31)36/h9-24,36,38,41H,1-8H3
InChIKeyKPLWTBNKCBUXNI-UHFFFAOYSA-N
MW553.79 g/mol
LogP9.95
Rot. Bonds7

About N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline

N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 58637057) has the molecular formula C39H43N3 and a molecular weight of 553.79 g/mol. Its IUPAC name is N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline
PubChem CID58637057
Molecular FormulaC39H43N3
Molecular Weight553.79 g/mol
Exact Mass553.35
IUPAC NameN-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline
SMILESCc1cc(C)c(C(Nc2c(C(C)C)cccc2C(C)C)c2nc(C3c4ccccc4-c4ccccc43)cn2C)c(C)c1
InChIInChI=1S/C39H43N3/c1-23(2)28-18-13-19-29(24(3)4)37(28)41-38(35-26(6)20-25(5)21-27(35)7)39-40-34(22-42(39)8)36-32-16-11-9-14-30(32)31-15-10-12-17-33(31)36/h9-24,36,38,41H,1-8H3
InChIKeyKPLWTBNKCBUXNI-UHFFFAOYSA-N
XLogP9.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.79
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline 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-[[1-methyl-4-(2-methyl-1-benzothiophen-3-yl)imidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 58637047
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
CID 102236466
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
2-N-(2,6-dibenzhydryl-4-methylphenyl)-1-N-[2,6-di(propan-2-yl)phenyl]-1,2-dihydroacenaphthylene-1,2-diamine
CID 141261142
N-[(S)-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 159040776

Frequently Asked Questions

What is the IUPAC name of N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline (CID 58637057) is N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline is Cc1cc(C)c(C(Nc2c(C(C)C)cccc2C(C)C)c2nc(C3c4ccccc4-c4ccccc43)cn2C)c(C)c1.
What is the InChIKey of N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is KPLWTBNKCBUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N3/c1-23(2)28-18-13-19-29(24(3)4)37(28)41-38(35-26(6)20-25(5)21-27(35)7)39-40-34(22-42(39)8)36-32-16-11-9-14-30(32)31-15-10-12-17-33(31)36/h9-24,36,38,41H,1-8H3.
What are the key properties of N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline?
N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 553.79 g/mol, XLogP of 9.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(9H-fluoren-9-yl)-1-methylimidazol-2-yl]-(2,4,6-trimethylphenyl)methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 58637057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).