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

C46H26N6O2 — CID 166583458

IUPAC2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6nc7ccccc7o6)n5)c4c32)cc1
InChIInChI=1S/C46H26N6O2/c1-2-12-28(13-3-1)51-36-18-8-4-14-29(36)33-24-25-34-30-15-5-9-19-37(30)52(42(34)41(33)51)46-49-43(48-44(50-46)45-47-35-17-7-11-21-39(35)54-45)27-22-23-32-31-16-6-10-20-38(31)53-40(32)26-27/h1-26H
InChIKeyLUGCWRJPKCACDY-UHFFFAOYSA-N
MW694.75 g/mol
LogP11.44
Rot. Bonds4

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

2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 166583458) has the molecular formula C46H26N6O2 and a molecular weight of 694.75 g/mol. Its IUPAC name is 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID166583458
Molecular FormulaC46H26N6O2
Molecular Weight694.75 g/mol
Exact Mass694.21
IUPAC Name2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6nc7ccccc7o6)n5)c4c32)cc1
InChIInChI=1S/C46H26N6O2/c1-2-12-28(13-3-1)51-36-18-8-4-14-29(36)33-24-25-34-30-15-5-9-19-37(30)52(42(34)41(33)51)46-49-43(48-44(50-46)45-47-35-17-7-11-21-39(35)54-45)27-22-23-32-31-16-6-10-20-38(31)53-40(32)26-27/h1-26H
InChIKeyLUGCWRJPKCACDY-UHFFFAOYSA-N
XLogP11.44
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582968
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
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
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
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
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
2-[4-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583478
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
2-[2-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583167
2-[3-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166582879
2-[3-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583306
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239

Frequently Asked Questions

What is the IUPAC name of 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 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) is 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6nc7ccccc7o6)n5)c4c32)cc1.
What is the InChIKey of 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is LUGCWRJPKCACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N6O2/c1-2-12-28(13-3-1)51-36-18-8-4-14-29(36)33-24-25-34-30-15-5-9-19-37(30)52(42(34)41(33)51)46-49-43(48-44(50-46)45-47-35-17-7-11-21-39(35)54-45)27-22-23-32-31-16-6-10-20-38(31)53-40(32)26-27/h1-26H.
What are the key properties of 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole has a molecular weight of 694.75 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 166583458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).