9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole

C64H41NO — CID 166690084

About 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole

9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole (PubChem CID 166690084) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole
• PubChem CID: 166690084
• Molecular Formula: C64H41NO
• Molecular Weight: 840.04 g/mol
• Exact Mass: 839.32
• IUPAC Name: 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole
• SMILES: C1=CC(n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cccc7c6c5)c5ccccc45)cc32)=CCC1
• InChI: InChI=1S/C64H41NO/c1-3-18-40(19-4-1)60-50-27-11-13-29-52(50)63(53-30-14-12-28-51(53)60)55-32-17-31-54-56-38-41(35-37-59(56)66-64(54)55)61-46-23-7-9-25-48(46)62(49-26-10-8-24-47(49)61)42-34-36-45-44-22-15-16-33-57(44)65(58(45)39-42)43-20-5-2-6-21-43/h1,3-5,7-39H,2,6H2
• InChIKey: DFUDGNMNHHBTAF-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.04
LogP ≤ 5	18.17
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-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole?

The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole (CID 166690084) is 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole.

What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole?

The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole is C1=CC(n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cccc7c6c5)c5ccccc45)cc32)=CCC1.

What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole?

The InChIKey is DFUDGNMNHHBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-18-40(19-4-1)60-50-27-11-13-29-52(50)63(53-30-14-12-28-51(53)60)55-32-17-31-54-56-38-41(35-37-59(56)66-64(54)55)61-46-23-7-9-25-48(46)62(49-26-10-8-24-47(49)61)42-34-36-45-44-22-15-16-33-57(44)65(58(45)39-42)43-20-5-2-6-21-43/h1,3-5,7-39H,2,6H2.

What are the key properties of 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole?

9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole has a molecular weight of 840.04 g/mol, XLogP of 18.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-1,5-dien-1-yl-2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 166690084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).