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

C63H41N5 — CID 175616505

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

11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 175616505) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 175616505
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)c2)cc1
• InChI: InChI=1S/C63H41N5/c1-4-19-42(20-5-1)45-25-16-27-47(39-45)48-28-17-29-49(40-48)51-31-10-13-34-56(51)67-57-35-14-11-32-52(57)54-37-38-55-53-33-12-15-36-58(53)68(60(55)59(54)67)63-65-61(44-23-8-3-9-24-44)64-62(66-63)50-30-18-26-46(41-50)43-21-6-2-7-22-43/h1-41H
• InChIKey: JGEPQJXKFWELDC-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-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 175616505) is 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)c2)cc1.

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

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

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

11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-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-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 175616505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).