1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C45H30O — CID 157130704

About 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 157130704) has the molecular formula C45H30O and a molecular weight of 613.90 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 157130704
• Molecular Formula: C45H30O
• Molecular Weight: 613.90 g/mol
• Exact Mass: 613.40
• IUPAC Name: 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5oc6c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c6c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c1C2(C)C([2H])([2H])[2H]
• InChI: InChI=1S/C45H30O/c1-45(2)38-18-10-9-13-31(38)32-22-19-29(26-39(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-23-40-37(25-28)44-30-12-4-3-11-27(30)20-24-41(44)46-40/h3-26H,1-2H3/i1D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D
• InChIKey: HIJVRAMDMPCQPP-UKWMKKERSA-N
• XLogP: 12.69
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.90
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 157130704) is 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c5oc6c([2H])c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c6c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c1C2(C)C([2H])([2H])[2H].

What is the InChIKey of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is HIJVRAMDMPCQPP-UKWMKKERSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)38-18-10-9-13-31(38)32-22-19-29(26-39(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-23-40-37(25-28)44-30-12-4-3-11-27(30)20-24-41(44)46-40/h3-26H,1-2H3/i1D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D.

What are the key properties of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 613.90 g/mol, XLogP of 12.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 157130704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).