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

C63H41N5 — CID 175627106

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

12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 175627106) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 175627106
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)cc2)cc1
• InChI: InChI=1S/C63H41N5/c1-4-18-42(19-5-1)45-34-36-46(37-35-45)51-28-10-13-31-56(51)67-57-32-14-11-29-52(57)54-38-39-55-53-30-12-15-33-58(53)68(60(55)59(54)67)63-65-61(49-26-16-24-47(40-49)43-20-6-2-7-21-43)64-62(66-63)50-27-17-25-48(41-50)44-22-8-3-9-23-44/h1-41H
• InChIKey: WAAHVNDOUXIHDL-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.06
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole (CID 175627106) is 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)cc2)cc1.

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

The InChIKey is WAAHVNDOUXIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-4-18-42(19-5-1)45-34-36-46(37-35-45)51-28-10-13-31-56(51)67-57-32-14-11-29-52(57)54-38-39-55-53-30-12-15-33-58(53)68(60(55)59(54)67)63-65-61(49-26-16-24-47(40-49)43-20-6-2-7-21-43)64-62(66-63)50-27-17-25-48(41-50)44-22-8-3-9-23-44/h1-41H.

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

12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 175627106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).