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

C52H30N6O2 — CID 166583457

IUPAC7-[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
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1
InChIInChI=1S/C52H30N6O2/c1-3-15-31(16-4-1)49-54-50(39-23-13-22-38-35-21-9-12-28-44(35)59-47(38)39)56-52(55-49)58-42-26-11-8-20-34(42)37-30-29-36-33-19-7-10-25-41(33)57(45(36)46(37)58)43-27-14-24-40-48(43)60-51(53-40)32-17-5-2-6-18-32/h1-30H
InChIKeyTWELBXOXOBRCBF-UHFFFAOYSA-N
MW770.85 g/mol
LogP13.11
Rot. Bonds5

About 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

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 (PubChem CID 166583457) has the molecular formula C52H30N6O2 and a molecular weight of 770.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID166583457
Molecular FormulaC52H30N6O2
Molecular Weight770.85 g/mol
Exact Mass770.24
IUPAC Name7-[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
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1
InChIInChI=1S/C52H30N6O2/c1-3-15-31(16-4-1)49-54-50(39-23-13-22-38-35-21-9-12-28-44(35)59-47(38)39)56-52(55-49)58-42-26-11-8-20-34(42)37-30-29-36-33-19-7-10-25-41(33)57(45(36)46(37)58)43-27-14-24-40-48(43)60-51(53-40)32-17-5-2-6-18-32/h1-30H
InChIKeyTWELBXOXOBRCBF-UHFFFAOYSA-N
XLogP13.11
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.85
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583428
7-[12-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583186
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
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165478
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 166582829
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
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
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is TWELBXOXOBRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N6O2/c1-3-15-31(16-4-1)49-54-50(39-23-13-22-38-35-21-9-12-28-44(35)59-47(38)39)56-52(55-49)58-42-26-11-8-20-34(42)37-30-29-36-33-19-7-10-25-41(33)57(45(36)46(37)58)43-27-14-24-40-48(43)60-51(53-40)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 770.85 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).