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

C45H31N5 — CID 167285574

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

11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole (PubChem CID 167285574) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
• PubChem CID: 167285574
• Molecular Formula: C45H31N5
• Molecular Weight: 641.78 g/mol
• Exact Mass: 641.26
• IUPAC Name: 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
• SMILES: C1=CC2c3ccc4c5ccccc5n(-c5ccccc5)c4c3N(c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)C2C=C1
• InChI: InChI=1S/C45H31N5/c1-4-15-30(16-5-1)32-19-14-20-33(29-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-40-26-13-11-24-36(40)38-28-27-37-35-23-10-12-25-39(35)49(41(37)42(38)50)34-21-8-3-9-22-34/h1-29,36,40H
• InChIKey: YZZZOBQCBFLSGH-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.78
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole (CID 167285574) is 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole.

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

The canonical SMILES for 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccc4c5ccccc5n(-c5ccccc5)c4c3N(c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)C2C=C1.

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

The InChIKey is YZZZOBQCBFLSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-4-15-30(16-5-1)32-19-14-20-33(29-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-40-26-13-11-24-36(40)38-28-27-37-35-23-10-12-25-39(35)49(41(37)42(38)50)34-21-8-3-9-22-34/h1-29,36,40H.

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

11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 167285574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).