1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C134H82O3 — CID 158377616

About 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 158377616) has the molecular formula C134H82O3 and a molecular weight of 1764.27 g/mol. Its IUPAC name is 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 158377616
• Molecular Formula: C134H82O3
• Molecular Weight: 1764.27 g/mol
• Exact Mass: 1762.78
• IUPAC Name: 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4ccccc4)c4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)c2c1[2H]
• InChI: InChI=1S/C48H30O.C46H28O.C40H24O/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-25-27-35(28-26-34)46-38-15-6-8-17-40(38)47(41-18-9-7-16-39(41)46)42-19-10-20-44-48(42)43-29-36-13-4-5-14-37(36)30-45(43)49-44;1-2-13-29(14-3-1)40-27-33(25-32-17-6-7-18-34(32)40)44-35-19-8-10-21-37(35)45(38-22-11-9-20-36(38)44)39-23-12-24-42-46(39)41-26-30-15-4-5-16-31(30)28-43(41)47-42;1-2-13-27-24-37-35(23-26(27)12-1)40-34(21-10-22-36(40)41-37)39-32-18-7-5-16-30(32)38(31-17-6-8-19-33(31)39)29-20-9-14-25-11-3-4-15-28(25)29/h1-30H;1-28H;1-24H/i6D,7D,8D,9D,15D,16D,17D,18D;8D,9D,10D,11D,19D,20D,21D,22D;5D,6D,7D,8D,16D,17D,18D,19D
• InChIKey: GVJYJXDGMJYMJH-RZDCQFLBSA-N
• XLogP: 38.45
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1764.27
LogP ≤ 5	38.45
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-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 158377616) is 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4ccccc4)c4ccccc4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cc6ccccc6cc5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)c2c1[2H].

What is the InChIKey of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is GVJYJXDGMJYMJH-RZDCQFLBSA-N. The full InChI is InChI=1S/C48H30O.C46H28O.C40H24O/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)34-25-27-35(28-26-34)46-38-15-6-8-17-40(38)47(41-18-9-7-16-39(41)46)42-19-10-20-44-48(42)43-29-36-13-4-5-14-37(36)30-45(43)49-44;1-2-13-29(14-3-1)40-27-33(25-32-17-6-7-18-34(32)40)44-35-19-8-10-21-37(35)45(38-22-11-9-20-36(38)44)39-23-12-24-42-46(39)41-26-30-15-4-5-16-31(30)28-43(41)47-42;1-2-13-27-24-37-35(23-26(27)12-1)40-34(21-10-22-36(40)41-37)39-32-18-7-5-16-30(32)38(31-17-6-8-19-33(31)39)29-20-9-14-25-11-3-4-15-28(25)29/h1-30H;1-28H;1-24H/i6D,7D,8D,9D,15D,16D,17D,18D;8D,9D,10D,11D,19D,20D,21D,22D;5D,6D,7D,8D,16D,17D,18D,19D.

What are the key properties of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1764.27 g/mol, XLogP of 38.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 158377616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).