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

C59H31F6N5S2 — CID 138712649

IUPAC5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)c1
InChIInChI=1S/C59H31F6N5S2/c60-58(61,62)33-22-26-45(69-43-18-8-4-16-39(43)51-47(69)28-24-37-35-14-6-10-20-49(35)71-53(37)51)41(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)42-31-34(59(63,64)65)23-27-46(42)70-44-19-9-5-17-40(44)52-48(70)29-25-38-36-15-7-11-21-50(36)72-54(38)52/h1-31H
InChIKeyZFGGKZSORAXKLY-UHFFFAOYSA-N
MW988.05 g/mol
LogP17.84
Rot. Bonds5

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

5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 138712649) has the molecular formula C59H31F6N5S2 and a molecular weight of 988.05 g/mol. Its IUPAC name is 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID138712649
Molecular FormulaC59H31F6N5S2
Molecular Weight988.05 g/mol
Exact Mass987.19
IUPAC Name5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)c1
InChIInChI=1S/C59H31F6N5S2/c60-58(61,62)33-22-26-45(69-43-18-8-4-16-39(43)51-47(69)28-24-37-35-14-6-10-20-49(35)71-53(37)51)41(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)42-31-34(59(63,64)65)23-27-46(42)70-44-19-9-5-17-40(44)52-48(70)29-25-38-36-15-7-11-21-50(36)72-54(38)52/h1-31H
InChIKeyZFGGKZSORAXKLY-UHFFFAOYSA-N
XLogP17.84
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.05
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 138712649) is 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is FC(F)(F)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)c1.
What is the InChIKey of 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ZFGGKZSORAXKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H31F6N5S2/c60-58(61,62)33-22-26-45(69-43-18-8-4-16-39(43)51-47(69)28-24-37-35-14-6-10-20-49(35)71-53(37)51)41(30-33)56-66-55(32-12-2-1-3-13-32)67-57(68-56)42-31-34(59(63,64)65)23-27-46(42)70-44-19-9-5-17-40(44)52-48(70)29-25-38-36-15-7-11-21-50(36)72-54(38)52/h1-31H.
What are the key properties of 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 988.05 g/mol, XLogP of 17.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 138712649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).