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

C64H38N4O — CID 138564841

IUPAC9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc65)cc34)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)50-25-15-24-49-52-38-43(32-35-59(52)69-60(49)50)68-57-29-14-10-23-48(57)51-36-41(31-34-58(51)68)42-30-33-47-46-22-9-13-28-55(46)64(56(47)37-42)53-26-11-7-20-44(53)45-21-8-12-27-54(45)64/h1-38H
InChIKeyMNKRHWHIJIDOTO-UHFFFAOYSA-N
MW879.04 g/mol
LogP15.88
Rot. Bonds5

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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 138564841) has the molecular formula C64H38N4O and a molecular weight of 879.04 g/mol. Its IUPAC name is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID138564841
Molecular FormulaC64H38N4O
Molecular Weight879.04 g/mol
Exact Mass878.30
IUPAC Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc65)cc34)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)50-25-15-24-49-52-38-43(32-35-59(52)69-60(49)50)68-57-29-14-10-23-48(57)51-36-41(31-34-58(51)68)42-30-33-47-46-22-9-13-28-55(46)64(56(47)37-42)53-26-11-7-20-44(53)45-21-8-12-27-54(45)64/h1-38H
InChIKeyMNKRHWHIJIDOTO-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 ≤ 500879.04
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
11-[6-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-phenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-fluorene]
CID 139453609
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
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
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
3-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451963

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 138564841) is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc65)cc34)n2)cc1.
What is the InChIKey of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is MNKRHWHIJIDOTO-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)50-25-15-24-49-52-38-43(32-35-59(52)69-60(49)50)68-57-29-14-10-23-48(57)51-36-41(31-34-58(51)68)42-30-33-47-46-22-9-13-28-55(46)64(56(47)37-42)53-26-11-7-20-44(53)45-21-8-12-27-54(45)64/h1-38H.
What are the key properties of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 879.04 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 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 138564841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).