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

C53H38O — CID 171451884

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

1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 171451884) has the molecular formula C53H38O and a molecular weight of 719.06 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 171451884
• Molecular Formula: C53H38O
• Molecular Weight: 719.06 g/mol
• Exact Mass: 718.47
• IUPAC Name: 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(Cc3c4c([2H])c([2H])c([2H])c([2H])c4c(Cc4c([2H])c([2H])c(-c5c([2H])c([2H])c6oc7c8c([2H])c([2H])c([2H])c([2H])c8c([2H])c([2H])c7c6c5[2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c1C2(C)C
• InChI: InChI=1S/C53H38O/c1-53(2)49-18-10-9-17-43(49)44-26-21-34(31-50(44)53)30-47-41-15-7-5-13-39(41)46(40-14-6-8-16-42(40)47)29-33-19-22-35(23-20-33)37-25-28-51-48(32-37)45-27-24-36-11-3-4-12-38(36)52(45)54-51/h3-28,31-32H,29-30H2,1-2H3/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,31D,32D
• InChIKey: WJVVFASENMHYRI-BLNIWJHRSA-N
• XLogP: 14.20
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.06
LogP ≤ 5	14.20
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-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran (CID 171451884) is 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(Cc3c4c([2H])c([2H])c([2H])c([2H])c4c(Cc4c([2H])c([2H])c(-c5c([2H])c([2H])c6oc7c8c([2H])c([2H])c([2H])c([2H])c8c([2H])c([2H])c7c6c5[2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c1C2(C)C.

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

The InChIKey is WJVVFASENMHYRI-BLNIWJHRSA-N. The full InChI is InChI=1S/C53H38O/c1-53(2)49-18-10-9-17-43(49)44-26-21-34(31-50(44)53)30-47-41-15-7-5-13-39(41)46(40-14-6-8-16-42(40)47)29-33-19-22-35(23-20-33)37-25-28-51-48(32-37)45-27-24-36-11-3-4-12-38(36)52(45)54-51/h3-28,31-32H,29-30H2,1-2H3/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,31D,32D.

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

1,2,3,4,5,6,7,9,10-nonadeuterio-8-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 719.06 g/mol, XLogP of 14.20, 5 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-[2,3,5,6-tetradeuterio-4-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)methyl]anthracen-9-yl]methyl]phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 171451884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).