3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole

C64H38N4O — CID 154602337

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5c34)n2)cc1
InChIInChI=1S/C64H38N4O/c1-3-16-39(17-4-1)61-65-62(40-18-5-2-6-19-40)67-63(66-61)48-24-15-29-59-60(48)51-37-42(31-35-58(51)69-59)41-30-34-57-50(36-41)47-23-10-14-28-56(47)68(57)43-32-33-55-49(38-43)46-22-9-13-27-54(46)64(55)52-25-11-7-20-44(52)45-21-8-12-26-53(45)64/h1-38H
InChIKeyWIENTHYBWDEXAY-UHFFFAOYSA-N
MW879.03 g/mol
LogP15.88
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole (PubChem CID 154602337) has the molecular formula C64H38N4O and a molecular weight of 879.03 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
PubChem CID154602337
Molecular FormulaC64H38N4O
Molecular Weight879.03 g/mol
Exact Mass878.30
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5c34)n2)cc1
InChIInChI=1S/C64H38N4O/c1-3-16-39(17-4-1)61-65-62(40-18-5-2-6-19-40)67-63(66-61)48-24-15-29-59-60(48)51-37-42(31-35-58(51)69-59)41-30-34-57-50(36-41)47-23-10-14-28-56(47)68(57)43-32-33-55-49(38-43)46-22-9-13-27-54(46)64(55)52-25-11-7-20-44(52)45-21-8-12-26-53(45)64/h1-38H
InChIKeyWIENTHYBWDEXAY-UHFFFAOYSA-N
XLogP15.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.03
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole (CID 154602337) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5c34)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole?
The InChIKey is WIENTHYBWDEXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O/c1-3-16-39(17-4-1)61-65-62(40-18-5-2-6-19-40)67-63(66-61)48-24-15-29-59-60(48)51-37-42(31-35-58(51)69-59)41-30-34-57-50(36-41)47-23-10-14-28-56(47)68(57)43-32-33-55-49(38-43)46-22-9-13-27-54(46)64(55)52-25-11-7-20-44(52)45-21-8-12-26-53(45)64/h1-38H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole has a molecular weight of 879.03 g/mol, XLogP of 15.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole is sourced from PubChem (CID 154602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).