9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole

C60H40N4O — CID 142568449

IUPAC9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C60H40N4O/c1-60(2)51-26-9-6-21-45(51)50-35-39(30-32-52(50)60)38-17-12-18-40(33-38)44-24-14-25-49-46-22-7-10-27-53(46)64(56(44)49)43-20-13-19-41(34-43)58-61-57(37-15-4-3-5-16-37)62-59(63-58)42-29-31-48-47-23-8-11-28-54(47)65-55(48)36-42/h3-36H,1-2H3
InChIKeyGKGJXLXNSDXAIZ-UHFFFAOYSA-N
MW833.01 g/mol
LogP15.51
Rot. Bonds6

About 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole (PubChem CID 142568449) has the molecular formula C60H40N4O and a molecular weight of 833.01 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
PubChem CID142568449
Molecular FormulaC60H40N4O
Molecular Weight833.01 g/mol
Exact Mass832.32
IUPAC Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21
InChIInChI=1S/C60H40N4O/c1-60(2)51-26-9-6-21-45(51)50-35-39(30-32-52(50)60)38-17-12-18-40(33-38)44-24-14-25-49-46-22-7-10-27-53(46)64(56(44)49)43-20-13-19-41(34-43)58-61-57(37-15-4-3-5-16-37)62-59(63-58)42-29-31-48-47-23-8-11-28-54(47)65-55(48)36-42/h3-36H,1-2H3
InChIKeyGKGJXLXNSDXAIZ-UHFFFAOYSA-N
XLogP15.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
CID 142569233
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
CID 142569292
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807768

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole (CID 142568449) is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c45)c3)ccc21.
What is the InChIKey of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole?
The InChIKey is GKGJXLXNSDXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4O/c1-60(2)51-26-9-6-21-45(51)50-35-39(30-32-52(50)60)38-17-12-18-40(33-38)44-24-14-25-49-46-22-7-10-27-53(46)64(56(44)49)43-20-13-19-41(34-43)58-61-57(37-15-4-3-5-16-37)62-59(63-58)42-29-31-48-47-23-8-11-28-54(47)65-55(48)36-42/h3-36H,1-2H3.
What are the key properties of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole?
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole has a molecular weight of 833.01 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole is sourced from PubChem (CID 142568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).