9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole

C81H50N2 — CID 59306636

About 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 59306636) has the molecular formula C81H50N2 and a molecular weight of 1051.31 g/mol. Its IUPAC name is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
• PubChem CID: 59306636
• Molecular Formula: C81H50N2
• Molecular Weight: 1051.31 g/mol
• Exact Mass: 1050.40
• IUPAC Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C81H50N2/c1-3-19-51(20-4-1)79-64-27-7-9-29-66(64)80(67-30-10-8-28-65(67)79)52-35-41-58(42-36-52)83-77-45-39-54(53-38-44-76-68(47-53)63-26-14-18-34-75(63)82(76)57-21-5-2-6-22-57)48-69(77)70-49-55(40-46-78(70)83)56-37-43-62-61-25-13-17-33-73(61)81(74(62)50-56)71-31-15-11-23-59(71)60-24-12-16-32-72(60)81/h1-50H
• InChIKey: ZWGUAEZORDFIKH-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.31
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 59306636) is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole.

What is the SMILES notation for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The canonical SMILES for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?

The InChIKey is ZWGUAEZORDFIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N2/c1-3-19-51(20-4-1)79-64-27-7-9-29-66(64)80(67-30-10-8-28-65(67)79)52-35-41-58(42-36-52)83-77-45-39-54(53-38-44-76-68(47-53)63-26-14-18-34-75(63)82(76)57-21-5-2-6-22-57)48-69(77)70-49-55(40-46-78(70)83)56-37-43-62-61-25-13-17-33-73(61)81(74(62)50-56)71-31-15-11-23-59(71)60-24-12-16-32-72(60)81/h1-50H.

What are the key properties of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 1051.31 g/mol, XLogP of 21.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 59306636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).