9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole

C68H45NO — CID 123271645

About 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole (PubChem CID 123271645) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole.

Molecular Properties

• Compound Name: 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole
• PubChem CID: 123271645
• Molecular Formula: C68H45NO
• Molecular Weight: 892.11 g/mol
• Exact Mass: 891.35
• IUPAC Name: 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole
• SMILES: C1=CC(c2cc(-c3ccccc3)cc3c2oc2ccc(-c4ccccc4)cc23)Cc2c1c1ccccc1n2-c1cccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)c1
• InChI: InChI=1S/C68H45NO/c1-5-18-44(19-6-1)49-34-37-65-60(39-49)62-42-52(45-20-7-2-8-21-45)41-59(68(62)70-65)51-33-35-55-54-28-15-16-31-63(54)69(64(55)43-51)53-27-17-26-48(38-53)50-32-36-58-61(40-50)67(47-24-11-4-12-25-47)57-30-14-13-29-56(57)66(58)46-22-9-3-10-23-46/h1-42,51H,43H2
• InChIKey: KKWXXXFWOZGMGH-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.11
LogP ≤ 5	18.52
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-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole?

The IUPAC name of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole (CID 123271645) is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole.

What is the SMILES notation for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole?

The canonical SMILES for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole is C1=CC(c2cc(-c3ccccc3)cc3c2oc2ccc(-c4ccccc4)cc23)Cc2c1c1ccccc1n2-c1cccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)c1.

What is the InChIKey of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole?

The InChIKey is KKWXXXFWOZGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-5-18-44(19-6-1)49-34-37-65-60(39-49)62-42-52(45-20-7-2-8-21-45)41-59(68(62)70-65)51-33-35-55-54-28-15-16-31-63(54)69(64(55)43-51)53-27-17-26-48(38-53)50-32-36-58-61(40-50)67(47-24-11-4-12-25-47)57-30-14-13-29-56(57)66(58)46-22-9-3-10-23-46/h1-42,51H,43H2.

What are the key properties of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole?

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole has a molecular weight of 892.11 g/mol, XLogP of 18.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole is sourced from PubChem (CID 123271645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).