8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole

C112H67NO3 — CID 167686759

About 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole

8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole (PubChem CID 167686759) has the molecular formula C112H67NO3 and a molecular weight of 1490.87 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 167686759
• Molecular Formula: C112H67NO3
• Molecular Weight: 1490.87 g/mol
• Exact Mass: 1489.61
• IUPAC Name: 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c2c1[2H]
• InChI: InChI=1S/C58H35NO.C54H32O2/c1-3-18-40-36(15-1)17-13-26-44(40)57-47-24-7-5-22-45(47)56(46-23-6-8-25-48(46)57)38-33-37-16-2-4-19-41(37)50(34-38)49-27-14-30-55-58(49)51-35-39(31-32-54(51)60-55)59-52-28-11-9-20-42(52)43-21-10-12-29-53(43)59;1-2-14-33(15-3-1)51-40-19-6-8-21-42(40)52(43-22-9-7-20-41(43)51)36-30-34-16-4-5-17-37(34)46(32-36)44-24-13-27-50-53(44)47-31-35(28-29-49(47)55-50)38-23-12-25-45-39-18-10-11-26-48(39)56-54(38)45/h1-35H;1-32H/i5D,6D,7D,8D,22D,23D,24D,25D;6D,7D,8D,9D,19D,20D,21D,22D
• InChIKey: WIDMJBGRMGCWCE-UWMMFOHYSA-N
• XLogP: 31.91
• TPSA: 44.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1490.87
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole (CID 167686759) is 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole?

The canonical SMILES for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c2c1[2H].

What is the InChIKey of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole?

The InChIKey is WIDMJBGRMGCWCE-UWMMFOHYSA-N. The full InChI is InChI=1S/C58H35NO.C54H32O2/c1-3-18-40-36(15-1)17-13-26-44(40)57-47-24-7-5-22-45(47)56(46-23-6-8-25-48(46)57)38-33-37-16-2-4-19-41(37)50(34-38)49-27-14-30-55-58(49)51-35-39(31-32-54(51)60-55)59-52-28-11-9-20-42(52)43-21-10-12-29-53(43)59;1-2-14-33(15-3-1)51-40-19-6-8-21-42(40)52(43-22-9-7-20-41(43)51)36-30-34-16-4-5-17-37(34)46(32-36)44-24-13-27-50-53(44)47-31-35(28-29-49(47)55-50)38-23-12-25-45-39-18-10-11-26-48(39)56-54(38)45/h1-35H;1-32H/i5D,6D,7D,8D,22D,23D,24D,25D;6D,7D,8D,9D,19D,20D,21D,22D.

What are the key properties of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole?

8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 1490.87 g/mol, XLogP of 31.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 167686759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).