5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole

C47H41N5 — CID 118504560

About 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 118504560) has the molecular formula C47H41N5 and a molecular weight of 675.88 g/mol. Its IUPAC name is 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 118504560
• Molecular Formula: C47H41N5
• Molecular Weight: 675.88 g/mol
• Exact Mass: 675.34
• IUPAC Name: 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
• InChI: InChI=1S/C47H41N5/c1-46(2,3)32-24-20-30(21-25-32)43-48-44(31-22-26-33(27-23-31)47(4,5)6)50-45(49-43)52-40-19-13-11-17-36(40)38-28-37-35-16-10-12-18-39(35)51(41(37)29-42(38)52)34-14-8-7-9-15-34/h7-29H,1-6H3
• InChIKey: ZSWHSJRMCZCHKL-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.88
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 118504560) is 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.

What is the InChIKey of 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is ZSWHSJRMCZCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N5/c1-46(2,3)32-24-20-30(21-25-32)43-48-44(31-22-26-33(27-23-31)47(4,5)6)50-45(49-43)52-40-19-13-11-17-36(40)38-28-37-35-16-10-12-18-39(35)51(41(37)29-42(38)52)34-14-8-7-9-15-34/h7-29H,1-6H3.

What are the key properties of 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?

5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 675.88 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 118504560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).