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

C68H43NO — CID 87156614

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

9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole (PubChem CID 87156614) has the molecular formula C68H43NO and a molecular weight of 890.10 g/mol. Its IUPAC name is 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole
• PubChem CID: 87156614
• Molecular Formula: C68H43NO
• Molecular Weight: 890.10 g/mol
• Exact Mass: 889.33
• IUPAC Name: 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole
• SMILES: c1ccc(-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)cc5)cc(-c5ccccc5)cc4c3c2)cc1
• InChI: InChI=1S/C68H43NO/c1-5-17-44(18-6-1)50-33-38-65-60(39-50)62-43-52(45-19-7-2-8-20-45)42-58(68(62)70-65)51-32-37-64-59(41-51)54-25-15-16-28-63(54)69(64)53-34-29-46(30-35-53)49-31-36-57-61(40-49)67(48-23-11-4-12-24-48)56-27-14-13-26-55(56)66(57)47-21-9-3-10-22-47/h1-43H
• InChIKey: DMXYCUHGRTXIIN-UHFFFAOYSA-N
• XLogP: 18.99
• 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	890.10
LogP ≤ 5	18.99
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-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole?

The IUPAC name of 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole (CID 87156614) is 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole.

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

The canonical SMILES for 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole is c1ccc(-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.

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

The InChIKey is DMXYCUHGRTXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO/c1-5-17-44(18-6-1)50-33-38-65-60(39-50)62-43-52(45-19-7-2-8-20-45)42-58(68(62)70-65)51-32-37-64-59(41-51)54-25-15-16-28-63(54)69(64)53-34-29-46(30-35-53)49-31-36-57-61(40-49)67(48-23-11-4-12-24-48)56-27-14-13-26-55(56)66(57)47-21-9-3-10-22-47/h1-43H.

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

9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole has a molecular weight of 890.10 g/mol, XLogP of 18.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 87156614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).