6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine

C46H28F3N5S — CID 159715052

IUPAC6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc(-c2nc(-c3ccc(-c4nccc5c4sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C46H28F3N5S/c1-27-10-12-29(13-11-27)43-51-44(53-45(52-43)31-18-20-32(21-19-31)46(47,48)49)30-16-14-28(15-17-30)41-42-36(24-25-50-41)37-26-33(22-23-40(37)55-42)54-38-8-4-2-6-34(38)35-7-3-5-9-39(35)54/h2-26H,1H3
InChIKeyMZHZEZGQEQFKPZ-UHFFFAOYSA-N
MW739.83 g/mol
LogP12.73
Rot. Bonds5

About 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine

6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 159715052) has the molecular formula C46H28F3N5S and a molecular weight of 739.83 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID159715052
Molecular FormulaC46H28F3N5S
Molecular Weight739.83 g/mol
Exact Mass739.20
IUPAC Name6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc(-c2nc(-c3ccc(-c4nccc5c4sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C46H28F3N5S/c1-27-10-12-29(13-11-27)43-51-44(53-45(52-43)31-18-20-32(21-19-31)46(47,48)49)30-16-14-28(15-17-30)41-42-36(24-25-50-41)37-26-33(22-23-40(37)55-42)54-38-8-4-2-6-34(38)35-7-3-5-9-39(35)54/h2-26H,1H3
InChIKeyMZHZEZGQEQFKPZ-UHFFFAOYSA-N
XLogP12.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.83
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

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CID 59130538
5-[[4-(1-Benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130555
2-[3-Benzo[h]quinolin-5-yl-5-[3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole
CID 88896510
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
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CID 90363919
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
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3-[9-[4-(6-Fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276740
N-(2-fluorophenyl)-N-[7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 123641818
3-(1-Benzothiophen-2-ylmethyl)-2-ethyl-4-methyl-6-[1-(3-methylimidazol-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinoline
CID 129131680
6-[3,6-Bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129302953

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine (CID 159715052) is 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine is Cc1ccc(-c2nc(-c3ccc(-c4nccc5c4sc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is MZHZEZGQEQFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F3N5S/c1-27-10-12-29(13-11-27)43-51-44(53-45(52-43)31-18-20-32(21-19-31)46(47,48)49)30-16-14-28(15-17-30)41-42-36(24-25-50-41)37-26-33(22-23-40(37)55-42)54-38-8-4-2-6-34(38)35-7-3-5-9-39(35)54/h2-26H,1H3.
What are the key properties of 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 739.83 g/mol, XLogP of 12.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-[4-[4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 159715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).