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

C56H34N6O — CID 166582921

IUPAC2-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
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)c3o2)cc1
InChIInChI=1S/C56H34N6O/c1-4-17-35(18-5-1)38-31-34-45(40-24-11-10-23-39(38)40)53-58-54(46-27-16-28-47-52(46)63-55(57-47)36-19-6-2-7-20-36)60-56(59-53)62-49-30-15-13-26-42(49)44-33-32-43-41-25-12-14-29-48(41)61(50(43)51(44)62)37-21-8-3-9-22-37/h1-34H
InChIKeyAVHHTQMQGCIWNN-UHFFFAOYSA-N
MW806.93 g/mol
LogP14.03
Rot. Bonds6

About 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

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 (PubChem CID 166582921) has the molecular formula C56H34N6O and a molecular weight of 806.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID166582921
Molecular FormulaC56H34N6O
Molecular Weight806.93 g/mol
Exact Mass806.28
IUPAC Name2-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
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)c3o2)cc1
InChIInChI=1S/C56H34N6O/c1-4-17-35(18-5-1)38-31-34-45(40-24-11-10-23-39(38)40)53-58-54(46-27-16-28-47-52(46)63-55(57-47)36-19-6-2-7-20-36)60-56(59-53)62-49-30-15-13-26-42(49)44-33-32-43-41-25-12-14-29-48(41)61(50(43)51(44)62)37-21-8-3-9-22-37/h1-34H
InChIKeyAVHHTQMQGCIWNN-UHFFFAOYSA-N
XLogP14.03
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.93
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[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-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 166583159
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
2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582891
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
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-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6ccccc56)nc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)n4)c3o2)cc1.
What is the InChIKey of 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?
The InChIKey is AVHHTQMQGCIWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6O/c1-4-17-35(18-5-1)38-31-34-45(40-24-11-10-23-39(38)40)53-58-54(46-27-16-28-47-52(46)63-55(57-47)36-19-6-2-7-20-36)60-56(59-53)62-49-30-15-13-26-42(49)44-33-32-43-41-25-12-14-29-48(41)61(50(43)51(44)62)37-21-8-3-9-22-37/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 806.93 g/mol, XLogP of 14.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166582921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).