9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole

C60H41NO — CID 87156695

About 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole (PubChem CID 87156695) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole
• PubChem CID: 87156695
• Molecular Formula: C60H41NO
• Molecular Weight: 791.99 g/mol
• Exact Mass: 791.32
• IUPAC Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c(-c8cccc9c8CCCC9)cccc67)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C60H41NO/c1-2-16-39(17-3-1)57-47-21-6-8-23-49(47)58(50-24-9-7-22-48(50)57)40-31-34-42(35-32-40)61-55-30-11-10-20-46(55)54-37-41(33-36-56(54)61)44-25-13-28-52-53-29-14-27-51(60(53)62-59(44)52)45-26-12-18-38-15-4-5-19-43(38)45/h1-3,6-14,16-18,20-37H,4-5,15,19H2
• InChIKey: FBACCZXLCBMCNU-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.99
LogP ≤ 5	16.54
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-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole?

The IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole (CID 87156695) is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole?

The canonical SMILES for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c(-c8cccc9c8CCCC9)cccc67)ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole?

The InChIKey is FBACCZXLCBMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-2-16-39(17-3-1)57-47-21-6-8-23-49(47)58(50-24-9-7-22-48(50)57)40-31-34-42(35-32-40)61-55-30-11-10-20-46(55)54-37-41(33-36-56(54)61)44-25-13-28-52-53-29-14-27-51(60(53)62-59(44)52)45-26-12-18-38-15-4-5-19-43(38)45/h1-3,6-14,16-18,20-37H,4-5,15,19H2.

What are the key properties of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole?

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 791.99 g/mol, XLogP of 16.54, 5 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-[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 87156695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).