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

C51H34O — CID 159887162

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

1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 159887162) has the molecular formula C51H34O and a molecular weight of 691.00 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 159887162
• Molecular Formula: C51H34O
• Molecular Weight: 691.00 g/mol
• Exact Mass: 690.44
• IUPAC Name: 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c2-c2c([2H])c([2H])c([2H])c([2H])c2C3(C)C)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H]
• InChI: InChI=1S/C51H34O/c1-51(2)44-23-10-9-21-41(44)50-36(22-12-24-45(50)51)33-15-11-16-34(27-33)48-37-17-5-7-19-39(37)49(40-20-8-6-18-38(40)48)35-25-26-46-42(29-35)43-28-31-13-3-4-14-32(31)30-47(43)52-46/h3-30H,1-2H3/i3D,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: UGCSJBZHPPDKDH-JURKADTPSA-N
• XLogP: 14.35
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.00
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 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 159887162) is 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c(-c2c([2H])c([2H])c([2H])c3c2-c2c([2H])c([2H])c([2H])c([2H])c2C3(C)C)c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4oc5c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c([2H])c5c4c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c1[2H].

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

The InChIKey is UGCSJBZHPPDKDH-JURKADTPSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)44-23-10-9-21-41(44)50-36(22-12-24-45(50)51)33-15-11-16-34(27-33)48-37-17-5-7-19-39(37)49(40-20-8-6-18-38(40)48)35-25-26-46-42(29-35)43-28-31-13-3-4-14-32(31)30-47(43)52-46/h3-30H,1-2H3/i3D,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 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 691.00 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 159887162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).