11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C51H31N5O — CID 169014275

About 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 169014275) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 169014275
• Molecular Formula: C51H31N5O
• Molecular Weight: 729.84 g/mol
• Exact Mass: 729.25
• IUPAC Name: 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)ccc4c3c2)cc1
• InChI: InChI=1S/C51H31N5O/c1-4-14-32(15-5-1)34-25-29-45-42(30-34)39-26-24-35(31-46(39)57-45)50-52-49(33-16-6-2-7-17-33)53-51(54-50)56-44-23-13-11-21-38(44)41-28-27-40-37-20-10-12-22-43(37)55(47(40)48(41)56)36-18-8-3-9-19-36/h1-31H
• InChIKey: XSSBKIKIIKAFQA-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.84
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 169014275) is 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)ccc4c3c2)cc1.

What is the InChIKey of 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is XSSBKIKIIKAFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-14-32(15-5-1)34-25-29-45-42(30-34)39-26-24-35(31-46(39)57-45)50-52-49(33-16-6-2-7-17-33)53-51(54-50)56-44-23-13-11-21-38(44)41-28-27-40-37-20-10-12-22-43(37)55(47(40)48(41)56)36-18-8-3-9-19-36/h1-31H.

What are the key properties of 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169014275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).