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

C56H34N6O — CID 166583306

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc8ccccc8o7)c6)c5c43)n2)cc1
InChIInChI=1S/C56H34N6O/c1-3-16-35(17-4-1)39-30-33-46(41-23-8-7-22-40(39)41)54-58-53(36-18-5-2-6-19-36)59-56(60-54)62-49-28-13-10-25-43(49)45-32-31-44-42-24-9-12-27-48(42)61(51(44)52(45)62)38-21-15-20-37(34-38)55-57-47-26-11-14-29-50(47)63-55/h1-34H
InChIKeySKOBPOYQGXODHH-UHFFFAOYSA-N
MW806.93 g/mol
LogP14.03
Rot. Bonds6

About 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

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 (PubChem CID 166583306) has the molecular formula C56H34N6O and a molecular weight of 806.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID166583306
Molecular FormulaC56H34N6O
Molecular Weight806.93 g/mol
Exact Mass806.28
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc8ccccc8o7)c6)c5c43)n2)cc1
InChIInChI=1S/C56H34N6O/c1-3-16-35(17-4-1)39-30-33-46(41-23-8-7-22-40(39)41)54-58-53(36-18-5-2-6-19-36)59-56(60-54)62-49-28-13-10-25-43(49)45-32-31-44-42-24-9-12-27-48(42)61(51(44)52(45)62)38-21-15-20-37(34-38)55-57-47-26-11-14-29-50(47)63-55/h1-34H
InChIKeySKOBPOYQGXODHH-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-[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 with MolForge

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Related Compounds

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-[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-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582921
2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582968
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[3-[12-[4-(9-methyl-6,9-dihydro-5H-fluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 174276189
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-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
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-[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
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc8ccccc8o7)c6)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SKOBPOYQGXODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6O/c1-3-16-35(17-4-1)39-30-33-46(41-23-8-7-22-40(39)41)54-58-53(36-18-5-2-6-19-36)59-56(60-54)62-49-28-13-10-25-43(49)45-32-31-44-42-24-9-12-27-48(42)61(51(44)52(45)62)38-21-15-20-37(34-38)55-57-47-26-11-14-29-50(47)63-55/h1-34H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 166583306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).