14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene

C30H16F3N3S2 — CID 59358662

IUPAC14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6cscc6c6sccc6c5n4)cc3)ccc21
InChIInChI=1S/C30H16F3N3S2/c31-30(32,33)36-25-4-2-1-3-20(25)22-13-19(9-10-26(22)36)17-5-7-18(8-6-17)24-14-35-27-16-37-15-23(27)28-21(11-12-38-28)29(35)34-24/h1-16H
InChIKeyCNXKNUCMKSURBU-UHFFFAOYSA-N
MW539.61 g/mol
LogP9.68
Rot. Bonds2

About 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene

14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene (PubChem CID 59358662) has the molecular formula C30H16F3N3S2 and a molecular weight of 539.61 g/mol. Its IUPAC name is 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene.

Molecular Properties

Compound Name14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene
PubChem CID59358662
Molecular FormulaC30H16F3N3S2
Molecular Weight539.61 g/mol
Exact Mass539.07
IUPAC Name14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene
SMILESFC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6cscc6c6sccc6c5n4)cc3)ccc21
InChIInChI=1S/C30H16F3N3S2/c31-30(32,33)36-25-4-2-1-3-20(25)22-13-19(9-10-26(22)36)17-5-7-18(8-6-17)24-14-35-27-16-37-15-23(27)28-21(11-12-38-28)29(35)34-24/h1-16H
InChIKeyCNXKNUCMKSURBU-UHFFFAOYSA-N
XLogP9.68
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.61
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene 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
N-(2,6-dimethylphenyl)-2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
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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
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
CID 162659437
N-(2,6-dimethylphenyl)-7-methyl-2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 4670247
N-(2,6-dimethylphenyl)-6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 4670451
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
3-Thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
CID 71578667
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174

Frequently Asked Questions

What is the IUPAC name of 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene?
The IUPAC name of 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene (CID 59358662) is 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene.
What is the SMILES notation for 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene?
The canonical SMILES for 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene is FC(F)(F)n1c2ccccc2c2cc(-c3ccc(-c4cn5c6cscc6c6sccc6c5n4)cc3)ccc21.
What is the InChIKey of 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene?
The InChIKey is CNXKNUCMKSURBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F3N3S2/c31-30(32,33)36-25-4-2-1-3-20(25)22-13-19(9-10-26(22)36)17-5-7-18(8-6-17)24-14-35-27-16-37-15-23(27)28-21(11-12-38-28)29(35)34-24/h1-16H.
What are the key properties of 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene?
14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene has a molecular weight of 539.61 g/mol, XLogP of 9.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-4,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,5,7(11),9,12,14-hexaene is sourced from PubChem (CID 59358662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).