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

C51H34O — CID 158117383

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

1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 158117383) has the molecular formula C51H34O and a molecular weight of 694.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 158117383
• Molecular Formula: C51H34O
• Molecular Weight: 694.02 g/mol
• Exact Mass: 693.46
• IUPAC Name: 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c2C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4oc5c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c([2H])c5c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H]
• InChI: InChI=1S/C51H34O/c1-51(2)45-24-10-9-17-37(45)42-23-12-22-35(49(42)51)32-14-11-15-33(29-32)47-38-18-5-7-20-40(38)48(41-21-8-6-19-39(41)47)34-26-28-46-44(30-34)43-27-25-31-13-3-4-16-36(31)50(43)52-46/h3-30H,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,27D,28D,29D,30D
• InChIKey: GSXVBBGVIDYBPM-UOPHFSBTSA-N
• XLogP: 14.35
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.02
LogP ≤ 5	14.35
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 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 158117383) is 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c2C(C)(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4oc5c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c([2H])c5c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H].

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

The InChIKey is GSXVBBGVIDYBPM-UOPHFSBTSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)45-24-10-9-17-37(45)42-23-12-22-35(49(42)51)32-14-11-15-33(29-32)47-38-18-5-7-20-40(38)48(41-21-8-6-19-39(41)47)34-26-28-46-44(30-34)43-27-25-31-13-3-4-16-36(31)50(43)52-46/h3-30H,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,27D,28D,29D,30D.

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

1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 694.02 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 158117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).