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

C58H34N6O2 — CID 166583360

IUPAC2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H34N6O2/c1-4-17-35(18-5-1)55-60-56(43-26-16-27-45-53(43)66-58(59-45)36-19-6-2-7-20-36)62-57(61-55)44-33-34-48(50-42-25-12-15-30-49(42)65-54(44)50)64-47-29-14-11-24-39(47)41-32-31-40-38-23-10-13-28-46(38)63(51(40)52(41)64)37-21-8-3-9-22-37/h1-34H
InChIKeyVWCMIARKGAKYPF-UHFFFAOYSA-N
MW846.95 g/mol
LogP14.77
Rot. Bonds6

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

2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 166583360) has the molecular formula C58H34N6O2 and a molecular weight of 846.95 g/mol. Its IUPAC name is 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID166583360
Molecular FormulaC58H34N6O2
Molecular Weight846.95 g/mol
Exact Mass846.27
IUPAC Name2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H34N6O2/c1-4-17-35(18-5-1)55-60-56(43-26-16-27-45-53(43)66-58(59-45)36-19-6-2-7-20-36)62-57(61-55)44-33-34-48(50-42-25-12-15-30-49(42)65-54(44)50)64-47-29-14-11-24-39(47)41-32-31-40-38-23-10-13-28-46(38)63(51(40)52(41)64)37-21-8-3-9-22-37/h1-34H
InChIKeyVWCMIARKGAKYPF-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 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

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
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
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
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-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
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
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
2-phenyl-7-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166582816
12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 155158786
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 166583360) is 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is VWCMIARKGAKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6O2/c1-4-17-35(18-5-1)55-60-56(43-26-16-27-45-53(43)66-58(59-45)36-19-6-2-7-20-36)62-57(61-55)44-33-34-48(50-42-25-12-15-30-49(42)65-54(44)50)64-47-29-14-11-24-39(47)41-32-31-40-38-23-10-13-28-46(38)63(51(40)52(41)64)37-21-8-3-9-22-37/h1-34H.
What are the key properties of 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-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 2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 166583360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).