12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

C73H45N5O — CID 168809550

About 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809550) has the molecular formula C73H45N5O and a molecular weight of 1008.20 g/mol. Its IUPAC name is 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 168809550
• Molecular Formula: C73H45N5O
• Molecular Weight: 1008.20 g/mol
• Exact Mass: 1007.36
• IUPAC Name: 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccc(-c8cccc9ccccc89)cc7)c7oc8ccccc8c7c6)c5c43)n2)cc1
• InChI: InChI=1S/C73H45N5O/c1-3-20-46(21-4-1)54-27-9-11-32-61(54)71-74-72(62-33-12-10-28-55(62)47-22-5-2-6-23-47)76-73(75-71)78-66-36-17-14-30-57(66)60-43-42-59-56-29-13-16-35-65(56)77(68(59)69(60)78)51-44-63(70-64(45-51)58-31-15-18-37-67(58)79-70)50-40-38-49(39-41-50)53-34-19-25-48-24-7-8-26-52(48)53/h1-45H
• InChIKey: RUNLYTQNQQHFRN-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.20
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (CID 168809550) is 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccc(-c8cccc9ccccc89)cc7)c7oc8ccccc8c7c6)c5c43)n2)cc1.

What is the InChIKey of 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The InChIKey is RUNLYTQNQQHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N5O/c1-3-20-46(21-4-1)54-27-9-11-32-61(54)71-74-72(62-33-12-10-28-55(62)47-22-5-2-6-23-47)76-73(75-71)78-66-36-17-14-30-57(66)60-43-42-59-56-29-13-16-35-65(56)77(68(59)69(60)78)51-44-63(70-64(45-51)58-31-15-18-37-67(58)79-70)50-40-38-49(39-41-50)53-34-19-25-48-24-7-8-26-52(48)53/h1-45H.

What are the key properties of 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?

12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1008.20 g/mol, XLogP of 19.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).