12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C57H34N6O — CID 169014581

IUPAC12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4c32)cc1
InChIInChI=1S/C57H34N6O/c1-2-16-36(17-3-1)61-46-24-10-6-20-39(46)43-32-33-44-40-21-7-11-25-47(40)62(54(44)53(43)61)50-28-14-8-23-45(50)56-58-55(35-30-31-42-41-22-9-15-29-51(41)64-52(42)34-35)59-57(60-56)63-48-26-12-4-18-37(48)38-19-5-13-27-49(38)63/h1-34H
InChIKeyZBQCQKSQUIVNLO-UHFFFAOYSA-N
MW818.94 g/mol
LogP14.40
Rot. Bonds5

About 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 169014581) has the molecular formula C57H34N6O and a molecular weight of 818.94 g/mol. Its IUPAC name is 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID169014581
Molecular FormulaC57H34N6O
Molecular Weight818.94 g/mol
Exact Mass818.28
IUPAC Name12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4c32)cc1
InChIInChI=1S/C57H34N6O/c1-2-16-36(17-3-1)61-46-24-10-6-20-39(46)43-32-33-44-40-21-7-11-25-47(40)62(54(44)53(43)61)50-28-14-8-23-45(50)56-58-55(35-30-31-42-41-22-9-15-29-51(41)64-52(42)34-35)59-57(60-56)63-48-26-12-4-18-37(48)38-19-5-13-27-49(38)63/h1-34H
InChIKeyZBQCQKSQUIVNLO-UHFFFAOYSA-N
XLogP14.40
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014829
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165502
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583458
4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965374
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
11-phenyl-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 156557722
3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729255

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 169014581) is 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4c32)cc1.
What is the InChIKey of 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is ZBQCQKSQUIVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6O/c1-2-16-36(17-3-1)61-46-24-10-6-20-39(46)43-32-33-44-40-21-7-11-25-47(40)62(54(44)53(43)61)50-28-14-8-23-45(50)56-58-55(35-30-31-42-41-22-9-15-29-51(41)64-52(42)34-35)59-57(60-56)63-48-26-12-4-18-37(48)38-19-5-13-27-49(38)63/h1-34H.
What are the key properties of 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 818.94 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 169014581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).