9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole

C46H34N2 — CID 141303114

About 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole

9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole (PubChem CID 141303114) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
• PubChem CID: 141303114
• Molecular Formula: C46H34N2
• Molecular Weight: 614.79 g/mol
• Exact Mass: 614.27
• IUPAC Name: 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
• SMILES: CCn1c2ccccc2c2ccc(-c3ccc4c5ccc(-c6ccc7c8ccccc8n(CC)c7c6)cc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C46H34N2/c1-3-47-43-15-9-7-13-37(43)39-23-19-31(27-45(39)47)29-17-21-35-36-22-18-30(26-42(36)34-12-6-5-11-33(34)41(35)25-29)32-20-24-40-38-14-8-10-16-44(38)48(4-2)46(40)28-32/h5-28H,3-4H2,1-2H3
• InChIKey: RIIBTUTYFRAPEP-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.79
LogP ≤ 5	12.74
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 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole?

The IUPAC name of 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole (CID 141303114) is 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole.

What is the SMILES notation for 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole?

The canonical SMILES for 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole is CCn1c2ccccc2c2ccc(-c3ccc4c5ccc(-c6ccc7c8ccccc8n(CC)c7c6)cc5c5ccccc5c4c3)cc21.

What is the InChIKey of 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole?

The InChIKey is RIIBTUTYFRAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-3-47-43-15-9-7-13-37(43)39-23-19-31(27-45(39)47)29-17-21-35-36-22-18-30(26-42(36)34-12-6-5-11-33(34)41(35)25-29)32-20-24-40-38-14-8-10-16-44(38)48(4-2)46(40)28-32/h5-28H,3-4H2,1-2H3.

What are the key properties of 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole?

9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole has a molecular weight of 614.79 g/mol, XLogP of 12.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole is sourced from PubChem (CID 141303114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).