3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole

C47H30IN3 — CID 121276823

About 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276823) has the molecular formula C47H30IN3 and a molecular weight of 763.68 g/mol. Its IUPAC name is 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 121276823
• Molecular Formula: C47H30IN3
• Molecular Weight: 763.68 g/mol
• Exact Mass: 763.15
• IUPAC Name: 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• SMILES: Ic1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)cc1
• InChI: InChI=1S/C47H30IN3/c48-35-23-17-31(18-24-35)42-13-8-14-43(49-42)32-19-25-37(26-20-32)51-44-15-6-4-11-38(44)40-27-21-34(30-47(40)51)33-22-28-46-41(29-33)39-12-5-7-16-45(39)50(46)36-9-2-1-3-10-36/h1-30H
• InChIKey: PJMCCMCZACIQAW-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.68
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 121276823) is 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole is Ic1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)cc1.

What is the InChIKey of 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is PJMCCMCZACIQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30IN3/c48-35-23-17-31(18-24-35)42-13-8-14-43(49-42)32-19-25-37(26-20-32)51-44-15-6-4-11-38(44)40-27-21-34(30-47(40)51)33-22-28-46-41(29-33)39-12-5-7-16-45(39)50(46)36-9-2-1-3-10-36/h1-30H.

What are the key properties of 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole?

3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 763.68 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).