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

C46H28N6O — CID 166582968

IUPAC2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C46H28N6O/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)43-48-44(45-47-37-19-9-12-22-40(37)53-45)50-46(49-43)52-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)51(41(35)42(36)52)32-15-5-2-6-16-32/h1-28H
InChIKeyKRQMMXAYGXWKNW-UHFFFAOYSA-N
MW680.77 g/mol
LogP11.21
Rot. Bonds5

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

2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 166582968) has the molecular formula C46H28N6O and a molecular weight of 680.77 g/mol. Its IUPAC name is 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID166582968
Molecular FormulaC46H28N6O
Molecular Weight680.77 g/mol
Exact Mass680.23
IUPAC Name2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C46H28N6O/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)43-48-44(45-47-37-19-9-12-22-40(37)53-45)50-46(49-43)52-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)51(41(35)42(36)52)32-15-5-2-6-16-32/h1-28H
InChIKeyKRQMMXAYGXWKNW-UHFFFAOYSA-N
XLogP11.21
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-dibenzofuran-3-yl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583458
2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583272
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
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
2-[2-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583167
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239
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
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
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
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 166582968) is 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.
What is the InChIKey of 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is KRQMMXAYGXWKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)43-48-44(45-47-37-19-9-12-22-40(37)53-45)50-46(49-43)52-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)51(41(35)42(36)52)32-15-5-2-6-16-32/h1-28H.
What are the key properties of 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole has a molecular weight of 680.77 g/mol, XLogP of 11.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 166582968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).