9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol

C21H14F3N3O — CID 102141745

IUPAC9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)c2c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)20(25-26-20)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-10-9-15(28)11-19(17)27/h1-11,28H,12H2
InChIKeyKKMPNFHDSGYNRQ-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.73
Rot. Bonds3

About 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol

9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol (PubChem CID 102141745) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol.

Molecular Properties

Compound Name9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol
PubChem CID102141745
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)c2c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)20(25-26-20)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-10-9-15(28)11-19(17)27/h1-11,28H,12H2
InChIKeyKKMPNFHDSGYNRQ-UHFFFAOYSA-N
XLogP5.73
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol 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-[(4-chlorophenyl)methyl]carbazole
CID 15206746
9-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-3-amine
CID 102259553
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-benzyl-2-bromocarbazole
CID 123133636
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
CID 102393691
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
CID 123717884
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
CID 3013459
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol
CID 44816929
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol?
The IUPAC name of 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol (CID 102141745) is 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol.
What is the SMILES notation for 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol?
The canonical SMILES for 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol is Oc1ccc2c3ccccc3n(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)c2c1.
What is the InChIKey of 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol?
The InChIKey is KKMPNFHDSGYNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)20(25-26-20)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)17-10-9-15(28)11-19(17)27/h1-11,28H,12H2.
What are the key properties of 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol?
9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol has a molecular weight of 381.36 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]carbazol-2-ol is sourced from PubChem (CID 102141745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).