7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole

C58H34N6O2 — CID 166583284

IUPAC7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5nc(-c6ccccc6)oc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C58H34N6O2/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)55-60-56(46-21-13-22-47-54(46)66-57(59-47)38-16-5-2-6-17-38)62-58(61-55)64-49-24-11-8-19-41(49)45-33-32-44-40-18-7-10-23-48(40)63(52(44)53(45)64)39-30-31-43-42-20-9-12-25-50(42)65-51(43)34-39/h1-34H
InChIKeyOMVPKDZDXXTVMU-UHFFFAOYSA-N
MW846.95 g/mol
LogP14.77
Rot. Bonds6

About 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole

7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 166583284) has the molecular formula C58H34N6O2 and a molecular weight of 846.95 g/mol. Its IUPAC name is 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID166583284
Molecular FormulaC58H34N6O2
Molecular Weight846.95 g/mol
Exact Mass846.27
IUPAC Name7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5nc(-c6ccccc6)oc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C58H34N6O2/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)55-60-56(46-21-13-22-47-54(46)66-57(59-47)38-16-5-2-6-17-38)62-58(61-55)64-49-24-11-8-19-41(49)45-33-32-44-40-18-7-10-23-48(40)63(52(44)53(45)64)39-30-31-43-42-20-9-12-25-50(42)65-51(43)34-39/h1-34H
InChIKeyOMVPKDZDXXTVMU-UHFFFAOYSA-N
XLogP14.77
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole with MolForge

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Related Compounds

7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
7-[12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583457
2-phenyl-7-[4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582925
7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
CID 166583419
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
2-phenyl-7-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582921
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
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
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583361

Frequently Asked Questions

What is the IUPAC name of 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 166583284) is 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc(-c4cccc5nc(-c6ccccc6)oc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c54)n3)cc2)cc1.
What is the InChIKey of 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is OMVPKDZDXXTVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6O2/c1-3-14-35(15-4-1)36-26-28-37(29-27-36)55-60-56(46-21-13-22-47-54(46)66-57(59-47)38-16-5-2-6-17-38)62-58(61-55)64-49-24-11-8-19-41(49)45-33-32-44-40-18-7-10-23-48(40)63(52(44)53(45)64)39-30-31-43-42-20-9-12-25-50(42)65-51(43)34-39/h1-34H.
What are the key properties of 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 846.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(11-dibenzofuran-3-ylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 166583284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).