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

C63H41N5 — CID 167203855

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

11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 167203855) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 167203855
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-c%10ccccc%10)c9)c8c76)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C63H41N5/c1-4-17-42(18-5-1)47-23-14-25-49(39-47)50-26-15-24-48(40-50)44-33-35-46(36-34-44)62-64-61(45-21-8-3-9-22-45)65-63(66-62)68-58-32-13-11-30-54(58)56-38-37-55-53-29-10-12-31-57(53)67(59(55)60(56)68)52-28-16-27-51(41-52)43-19-6-2-7-20-43/h1-41H
• InChIKey: CUXASASQCARIRG-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 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 167203855) is 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-c%10ccccc%10)c9)c8c76)n5)cc4)c3)c2)cc1.

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

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

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

11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]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 11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167203855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).