5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole

C54H32N2 — CID 166009487

About 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole

5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole (PubChem CID 166009487) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole
• PubChem CID: 166009487
• Molecular Formula: C54H32N2
• Molecular Weight: 708.86 g/mol
• Exact Mass: 708.26
• IUPAC Name: 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole
• SMILES: c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c5cc43)ccc21
• InChI: InChI=1S/C54H32N2/c1-3-17-39-35(13-1)37-15-5-7-19-41(37)47-29-33(25-27-43(39)47)55-51-23-11-9-21-45(51)49-31-50-46-22-10-12-24-52(46)56(54(50)32-53(49)55)34-26-28-44-40-18-4-2-14-36(40)38-16-6-8-20-42(38)48(44)30-34/h1-32H
• InChIKey: IOKVEFSZBHRMCS-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.86
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole?

The IUPAC name of 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole (CID 166009487) is 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole.

What is the SMILES notation for 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole?

The canonical SMILES for 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole is c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c5cc43)ccc21.

What is the InChIKey of 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole?

The InChIKey is IOKVEFSZBHRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c1-3-17-39-35(13-1)37-15-5-7-19-41(37)47-29-33(25-27-43(39)47)55-51-23-11-9-21-45(51)49-31-50-46-22-10-12-24-52(46)56(54(50)32-53(49)55)34-26-28-44-40-18-4-2-14-36(40)38-16-6-8-20-42(38)48(44)30-34/h1-32H.

What are the key properties of 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole?

5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole has a molecular weight of 708.86 g/mol, XLogP of 14.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 166009487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).