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

C56H34N6O — CID 166583478

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7nc8ccccc8o7)cc6)c5c43)n2)cc1
InChIInChI=1S/C56H34N6O/c1-3-15-35(16-4-1)39-31-34-46(41-20-8-7-19-40(39)41)54-58-53(36-17-5-2-6-18-36)59-56(60-54)62-49-25-13-10-22-43(49)45-33-32-44-42-21-9-12-24-48(42)61(51(44)52(45)62)38-29-27-37(28-30-38)55-57-47-23-11-14-26-50(47)63-55/h1-34H
InChIKeyZXSSGNKOTNVQTF-UHFFFAOYSA-N
MW806.93 g/mol
LogP14.03
Rot. Bonds6

About 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

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 (PubChem CID 166583478) has the molecular formula C56H34N6O and a molecular weight of 806.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID166583478
Molecular FormulaC56H34N6O
Molecular Weight806.93 g/mol
Exact Mass806.28
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7nc8ccccc8o7)cc6)c5c43)n2)cc1
InChIInChI=1S/C56H34N6O/c1-3-15-35(16-4-1)39-31-34-46(41-20-8-7-19-40(39)41)54-58-53(36-17-5-2-6-18-36)59-56(60-54)62-49-25-13-10-22-43(49)45-33-32-44-42-21-9-12-24-48(42)61(51(44)52(45)62)38-29-27-37(28-30-38)55-57-47-23-11-14-26-50(47)63-55/h1-34H
InChIKeyZXSSGNKOTNVQTF-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-[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 with MolForge

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Related Compounds

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-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582968
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-[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-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
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
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-(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-[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-[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-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7nc8ccccc8o7)cc6)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ZXSSGNKOTNVQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6O/c1-3-15-35(16-4-1)39-31-34-46(41-20-8-7-19-40(39)41)54-58-53(36-17-5-2-6-18-36)59-56(60-54)62-49-25-13-10-22-43(49)45-33-32-44-42-21-9-12-24-48(42)61(51(44)52(45)62)38-29-27-37(28-30-38)55-57-47-23-11-14-26-50(47)63-55/h1-34H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 166583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).