4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene

C32H18F3N3S — CID 59358711

IUPAC4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6sccc6c5n4)cc3)ccc21
InChIInChI=1S/C32H18F3N3S/c33-32(34,35)38-28-8-4-1-5-22(28)25-17-21(13-14-29(25)38)19-9-11-20(12-10-19)26-18-37-27-7-3-2-6-23(27)30-24(15-16-39-30)31(37)36-26/h1-18H
InChIKeyOUJZJYBOGRJNHT-UHFFFAOYSA-N
MW533.58 g/mol
LogP9.62
Rot. Bonds2

About 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene

4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene (PubChem CID 59358711) has the molecular formula C32H18F3N3S and a molecular weight of 533.58 g/mol. Its IUPAC name is 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene.

Molecular Properties

Compound Name4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene
PubChem CID59358711
Molecular FormulaC32H18F3N3S
Molecular Weight533.58 g/mol
Exact Mass533.12
IUPAC Name4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6sccc6c5n4)cc3)ccc21
InChIInChI=1S/C32H18F3N3S/c33-32(34,35)38-28-8-4-1-5-22(28)25-17-21(13-14-29(25)38)19-9-11-20(12-10-19)26-18-37-27-7-3-2-6-23(27)30-24(15-16-39-30)31(37)36-26/h1-18H
InChIKeyOUJZJYBOGRJNHT-UHFFFAOYSA-N
XLogP9.62
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene with MolForge

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Related Compounds

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7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448
6-[Difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406400
3-(3,4-Dimethylphenyl)-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
CID 16196165
3-Phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
CID 16196247
6-Methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51359381
6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 122179433
2-Phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 51359833
2-(4-Methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 51359834
2-(4-Fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 51359835
4-[3-(Thiophen-3-ylmethyl)imidazo[2,1-a]isoquinolin-2-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene?
The IUPAC name of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene (CID 59358711) is 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene.
What is the SMILES notation for 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene?
The canonical SMILES for 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene is FC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6ccccc6c6sccc6c5n4)cc3)ccc21.
What is the InChIKey of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene?
The InChIKey is OUJZJYBOGRJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F3N3S/c33-32(34,35)38-28-8-4-1-5-22(28)25-17-21(13-14-29(25)38)19-9-11-20(12-10-19)26-18-37-27-7-3-2-6-23(27)30-24(15-16-39-30)31(37)36-26/h1-18H.
What are the key properties of 4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene?
4-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene has a molecular weight of 533.58 g/mol, XLogP of 9.62, 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]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),8,12,14-heptaene is sourced from PubChem (CID 59358711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).