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

C49H29N7O — CID 166583361

IUPAC2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7n6)c5c43)n2)cc1
InChIInChI=1S/C49H29N7O/c1-3-15-31(16-4-1)46-52-47(37-21-13-23-39-45(37)57-48(51-39)32-17-5-2-6-18-32)54-49(53-46)56-41-25-12-9-20-34(41)36-28-27-35-33-19-8-11-24-40(33)55(43(35)44(36)56)42-29-26-30-14-7-10-22-38(30)50-42/h1-29H
InChIKeyKRBKVGHWILUKED-UHFFFAOYSA-N
MW731.82 g/mol
LogP11.76
Rot. Bonds5

About 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

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 (PubChem CID 166583361) has the molecular formula C49H29N7O and a molecular weight of 731.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID166583361
Molecular FormulaC49H29N7O
Molecular Weight731.82 g/mol
Exact Mass731.24
IUPAC Name2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7n6)c5c43)n2)cc1
InChIInChI=1S/C49H29N7O/c1-3-15-31(16-4-1)46-52-47(37-21-13-23-39-45(37)57-48(51-39)32-17-5-2-6-18-32)54-49(53-46)56-41-25-12-9-20-34(41)36-28-27-35-33-19-8-11-24-40(33)55(43(35)44(36)56)42-29-26-30-14-7-10-22-38(30)50-42/h1-29H
InChIKeyKRBKVGHWILUKED-UHFFFAOYSA-N
XLogP11.76
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 511.76
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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
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
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-(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
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-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
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-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenanthren-2-yl-1,3-benzoxazole
CID 166583235
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7n6)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is KRBKVGHWILUKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7O/c1-3-15-31(16-4-1)46-52-47(37-21-13-23-39-45(37)57-48(51-39)32-17-5-2-6-18-32)54-49(53-46)56-41-25-12-9-20-34(41)36-28-27-35-33-19-8-11-24-40(33)55(43(35)44(36)56)42-29-26-30-14-7-10-22-38(30)50-42/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 731.82 g/mol, XLogP of 11.76, 5 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-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 166583361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).