2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole

C50H32N6O — CID 174276006

About 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole

2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole (PubChem CID 174276006) has the molecular formula C50H32N6O and a molecular weight of 732.85 g/mol. Its IUPAC name is 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
• PubChem CID: 174276006
• Molecular Formula: C50H32N6O
• Molecular Weight: 732.85 g/mol
• Exact Mass: 732.26
• IUPAC Name: 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
• SMILES: C1=CCC(c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6nc7ccccc7o6)c5c43)n2)C=C1
• InChI: InChI=1S/C50H32N6O/c1-2-15-32(16-3-1)47-52-48(34-27-26-31-14-4-5-17-33(31)30-34)54-50(53-47)56-42-23-11-7-19-36(42)38-29-28-37-35-18-6-10-22-41(35)55(45(37)46(38)56)43-24-12-8-20-39(43)49-51-40-21-9-13-25-44(40)57-49/h1-15,17-30,32H,16H2
• InChIKey: QUYJCTIFDGLEGG-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 74.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.85
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole (CID 174276006) is 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-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-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole is C1=CCC(c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6nc7ccccc7o6)c5c43)n2)C=C1.

What is the InChIKey of 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

The InChIKey is QUYJCTIFDGLEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6O/c1-2-15-32(16-3-1)47-52-48(34-27-26-31-14-4-5-17-33(31)30-34)54-50(53-47)56-42-23-11-7-19-36(42)38-29-28-37-35-18-6-10-22-41(35)55(45(37)46(38)56)43-24-12-8-20-39(43)49-51-40-21-9-13-25-44(40)57-49/h1-15,17-30,32H,16H2.

What are the key properties of 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole?

2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole has a molecular weight of 732.85 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174276006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).