9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole

C72H44N2 — CID 126548022

About 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole

9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole (PubChem CID 126548022) has the molecular formula C72H44N2 and a molecular weight of 937.16 g/mol. Its IUPAC name is 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
• PubChem CID: 126548022
• Molecular Formula: C72H44N2
• Molecular Weight: 937.16 g/mol
• Exact Mass: 936.35
• IUPAC Name: 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12c%12ccccc%12c%11c%10)ccc98)c7)cc6c6ccccc6c5c4)cccc32)cc1
• InChI: InChI=1S/C72H44N2/c1-2-17-50(18-3-1)73-69-30-13-11-27-63(69)72-52(28-15-31-71(72)73)49-34-38-61-60-37-32-46(41-65(60)57-24-8-9-25-58(57)66(61)44-49)45-16-14-19-51(40-45)74-68-29-12-10-26-62(68)67-43-48(35-39-70(67)74)47-33-36-59-55-22-5-4-20-53(55)54-21-6-7-23-56(54)64(59)42-47/h1-44H
• InChIKey: HQKTUFDMTXEIEV-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.16
LogP ≤ 5	19.80
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 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole?

The IUPAC name of 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole (CID 126548022) is 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole.

What is the SMILES notation for 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole?

The canonical SMILES for 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccccc%12c%12ccccc%12c%11c%10)ccc98)c7)cc6c6ccccc6c5c4)cccc32)cc1.

What is the InChIKey of 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole?

The InChIKey is HQKTUFDMTXEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2/c1-2-17-50(18-3-1)73-69-30-13-11-27-63(69)72-52(28-15-31-71(72)73)49-34-38-61-60-37-32-46(41-65(60)57-24-8-9-25-58(57)66(61)44-49)45-16-14-19-51(40-45)74-68-29-12-10-26-62(68)67-43-48(35-39-70(67)74)47-33-36-59-55-22-5-4-20-53(55)54-21-6-7-23-56(54)64(59)42-47/h1-44H.

What are the key properties of 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole?

9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole has a molecular weight of 937.16 g/mol, XLogP of 19.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole is sourced from PubChem (CID 126548022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).