1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran

C115H74O3 — CID 164958548

About 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran

1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 164958548) has the molecular formula C115H74O3 and a molecular weight of 1549.13 g/mol. Its IUPAC name is 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
• PubChem CID: 164958548
• Molecular Formula: C115H74O3
• Molecular Weight: 1549.13 g/mol
• Exact Mass: 1547.85
• IUPAC Name: 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccc6ccccc6c5)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5cccc6c5-c5ccccc5C6(C)C)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccccc5-c5ccccc5)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H]
• InChI: InChI=1S/C41H28O.C38H24O.C36H22O/c1-41(2)34-19-9-7-17-31(34)40-32(18-11-20-35(40)41)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)25-22-23-37-33(24-25)26-12-8-10-21-36(26)42-37;1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36;1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h3-24H,1-2H3;1-24H;1-22H/i3D,4D,5D,6D,8D,10D,12D,13D,14D,15D,16D,21D,22D,23D,24D;6D,7D,8D,9D,10D,11D,15D,17D,18D,19D,20D,21D,22D,23D,24D;3D,4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,20D,22D
• InChIKey: BMXJMRYLZLLCET-NULPYAHJSA-N
• XLogP: 32.81
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1549.13
LogP ≤ 5	32.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 164958548) is 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.

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

The canonical SMILES for 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccc6ccccc6c5)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5cccc6c5-c5ccccc5C6(C)C)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccccc5-c5ccccc5)c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c32)c1[2H].

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

The InChIKey is BMXJMRYLZLLCET-NULPYAHJSA-N. The full InChI is InChI=1S/C41H28O.C38H24O.C36H22O/c1-41(2)34-19-9-7-17-31(34)40-32(18-11-20-35(40)41)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)25-22-23-37-33(24-25)26-12-8-10-21-36(26)42-37;1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36;1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h3-24H,1-2H3;1-24H;1-22H/i3D,4D,5D,6D,8D,10D,12D,13D,14D,15D,16D,21D,22D,23D,24D;6D,7D,8D,9D,10D,11D,15D,17D,18D,19D,20D,21D,22D,23D,24D;3D,4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,20D,22D.

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

1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 1549.13 g/mol, XLogP of 32.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 164958548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).