12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C64H36N4OS — CID 166875241

IUPAC12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)n4)ccc23)cc1
InChIInChI=1S/C64H36N4OS/c1-2-16-37(17-3-1)39-23-14-24-45-43-33-32-38(36-54(43)69-60(39)45)61-65-62(48-25-15-31-56-57(48)47-22-8-13-30-55(47)70-56)67-63(66-61)68-53-29-12-7-20-42(53)44-34-35-52-58(59(44)68)46-21-6-11-28-51(46)64(52)49-26-9-4-18-40(49)41-19-5-10-27-50(41)64/h1-36H
InChIKeyJJFWTNQCASBQPE-UHFFFAOYSA-N
MW909.09 g/mol
LogP16.58
Rot. Bonds4

About 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 166875241) has the molecular formula C64H36N4OS and a molecular weight of 909.09 g/mol. Its IUPAC name is 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID166875241
Molecular FormulaC64H36N4OS
Molecular Weight909.09 g/mol
Exact Mass908.26
IUPAC Name12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)n4)ccc23)cc1
InChIInChI=1S/C64H36N4OS/c1-2-16-37(17-3-1)39-23-14-24-45-43-33-32-38(36-54(43)69-60(39)45)61-65-62(48-25-15-31-56-57(48)47-22-8-13-30-55(47)70-56)67-63(66-61)68-53-29-12-7-20-42(53)44-34-35-52-58(59(44)68)46-21-6-11-28-51(46)64(52)49-26-9-4-18-40(49)41-19-5-10-27-50(41)64/h1-36H
InChIKeyJJFWTNQCASBQPE-UHFFFAOYSA-N
XLogP16.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.09
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
12-[4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 142355834
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014557
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 164993637
12'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155160183
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 164933059
12'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155159191
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369212
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 168767904
3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 154602219
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280

Frequently Asked Questions

What is the IUPAC name of 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 166875241) is 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc6sc7ccccc7c56)nc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)n4)ccc23)cc1.
What is the InChIKey of 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is JJFWTNQCASBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N4OS/c1-2-16-37(17-3-1)39-23-14-24-45-43-33-32-38(36-54(43)69-60(39)45)61-65-62(48-25-15-31-56-57(48)47-22-8-13-30-55(47)70-56)67-63(66-61)68-53-29-12-7-20-42(53)44-34-35-52-58(59(44)68)46-21-6-11-28-51(46)64(52)49-26-9-4-18-40(49)41-19-5-10-27-50(41)64/h1-36H.
What are the key properties of 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 909.09 g/mol, XLogP of 16.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 166875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).