4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene

C32H18F3N3O — CID 59358727

IUPAC4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c(n4)c4ccccc4c4ccoc45)cc3)ccc21
InChIInChI=1S/C32H18F3N3O/c33-32(34,35)38-28-8-4-3-6-23(28)26-17-21(13-14-29(26)38)19-9-11-20(12-10-19)27-18-37-30(36-27)24-7-2-1-5-22(24)25-15-16-39-31(25)37/h1-18H
InChIKeyRIFMTXZALFCYPH-UHFFFAOYSA-N
MW517.51 g/mol
LogP9.15
Rot. Bonds2

About 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene

4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene (PubChem CID 59358727) has the molecular formula C32H18F3N3O and a molecular weight of 517.51 g/mol. Its IUPAC name is 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene.

Molecular Properties

Compound Name4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene
PubChem CID59358727
Molecular FormulaC32H18F3N3O
Molecular Weight517.51 g/mol
Exact Mass517.14
IUPAC Name4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c(n4)c4ccccc4c4ccoc45)cc3)ccc21
InChIInChI=1S/C32H18F3N3O/c33-32(34,35)38-28-8-4-3-6-23(28)26-17-21(13-14-29(26)38)19-9-11-20(12-10-19)27-18-37-30(36-27)24-7-2-1-5-22(24)25-15-16-39-31(25)37/h1-18H
InChIKeyRIFMTXZALFCYPH-UHFFFAOYSA-N
XLogP9.15
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene with MolForge

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Related Compounds

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3-Benzyl-5-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,2,4-oxadiazole
CID 46864506
2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 46864508
N-[1-[1-ethyl-5-(4-imidazol-1-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-N-[5-(trifluoromethyl)-1-benzofuran-2-yl]formamide
CID 56974113
N-[1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-[5-(trifluoromethyl)-1-benzofuran-2-yl]formamide
CID 57117232
N-[1-[5-(4-imidazol-1-ylphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-[5-(trifluoromethyl)-1-benzofuran-2-yl]formamide
CID 57259208
[3-(4-Fluorophenyl)pyrrolidin-1-yl]-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
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CID 57774835
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CID 57774922

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene?
The IUPAC name of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene (CID 59358727) is 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene.
What is the SMILES notation for 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene?
The canonical SMILES for 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene is FC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c(n4)c4ccccc4c4ccoc45)cc3)ccc21.
What is the InChIKey of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene?
The InChIKey is RIFMTXZALFCYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F3N3O/c33-32(34,35)38-28-8-4-3-6-23(28)26-17-21(13-14-29(26)38)19-9-11-20(12-10-19)27-18-37-30(36-27)24-7-2-1-5-22(24)25-15-16-39-31(25)37/h1-18H.
What are the key properties of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene?
4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene has a molecular weight of 517.51 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-8-oxa-3,6-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),9,12,14-heptaene is sourced from PubChem (CID 59358727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).