N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine

C38H41FN4 — CID 144725386

IUPACN-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
SMILESCCC(C)(c1cc2c(cc1-c1nccn1-c1c(C)cc(C)cc1C)c1ccccc1n2-c1c(C)cc(C)cc1C)N(C)F
InChIInChI=1S/C38H41FN4/c1-10-38(8,41(9)39)32-22-34-30(21-31(32)37-40-15-16-42(37)35-25(4)17-23(2)18-26(35)5)29-13-11-12-14-33(29)43(34)36-27(6)19-24(3)20-28(36)7/h11-22H,10H2,1-9H3
InChIKeyPYIYXRWCQLJIOG-UHFFFAOYSA-N
MW572.77 g/mol
LogP9.93
Rot. Bonds6

About N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine

N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine (PubChem CID 144725386) has the molecular formula C38H41FN4 and a molecular weight of 572.77 g/mol. Its IUPAC name is N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
PubChem CID144725386
Molecular FormulaC38H41FN4
Molecular Weight572.77 g/mol
Exact Mass572.33
IUPAC NameN-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
SMILESCCC(C)(c1cc2c(cc1-c1nccn1-c1c(C)cc(C)cc1C)c1ccccc1n2-c1c(C)cc(C)cc1C)N(C)F
InChIInChI=1S/C38H41FN4/c1-10-38(8,41(9)39)32-22-34-30(21-31(32)37-40-15-16-42(37)35-25(4)17-23(2)18-26(35)5)29-13-11-12-14-33(29)43(34)36-27(6)19-24(3)20-28(36)7/h11-22H,10H2,1-9H3
InChIKeyPYIYXRWCQLJIOG-UHFFFAOYSA-N
XLogP9.93
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.77
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
2-[3,5-di(carbazol-9-yl)phenyl]-4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexane-2,4-diol;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58947547
1-fluoropropane;2-[5-(4-methylphenyl)sulfanyl-2-(2,2,3-trimethylpentan-3-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 144714660
2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 159306749
iridium(3+);tris(5-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-7H-pyrido[3,2-b]indol-7-ide)
CID 59348225
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
CID 102492610
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
CID 11370929
9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile
CID 140906158
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine?
The IUPAC name of N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine (CID 144725386) is N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine.
What is the SMILES notation for N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine?
The canonical SMILES for N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine is CCC(C)(c1cc2c(cc1-c1nccn1-c1c(C)cc(C)cc1C)c1ccccc1n2-c1c(C)cc(C)cc1C)N(C)F.
What is the InChIKey of N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine?
The InChIKey is PYIYXRWCQLJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41FN4/c1-10-38(8,41(9)39)32-22-34-30(21-31(32)37-40-15-16-42(37)35-25(4)17-23(2)18-26(35)5)29-13-11-12-14-33(29)43(34)36-27(6)19-24(3)20-28(36)7/h11-22H,10H2,1-9H3.
What are the key properties of N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine?
N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine has a molecular weight of 572.77 g/mol, XLogP of 9.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine is sourced from PubChem (CID 144725386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).