8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C184H116O4 — CID 159341841

About 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 159341841) has the molecular formula C184H116O4 and a molecular weight of 2423.14 g/mol. Its IUPAC name is 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 159341841
• Molecular Formula: C184H116O4
• Molecular Weight: 2423.14 g/mol
• Exact Mass: 2421.09
• IUPAC Name: 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(ccc5cc(-c6ccccc6)ccc54)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c3C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H]
• InChI: InChI=1S/C50H30O.2C45H30O.C44H26O/c1-2-10-31(11-3-1)33-21-24-38-34(28-33)18-19-35-29-36(22-25-39(35)38)48-41-14-6-8-16-43(41)49(44-17-9-7-15-42(44)48)37-23-27-47-46(30-37)45-26-20-32-12-4-5-13-40(32)50(45)51-47;1-45(2)39-21-10-9-14-30(39)35-19-11-20-37(43(35)45)42-33-17-7-5-15-31(33)41(32-16-6-8-18-34(32)42)28-23-25-40-38(26-28)36-24-22-27-12-3-4-13-29(27)44(36)46-40;1-45(2)39-18-10-9-13-31(39)32-22-20-29(26-40(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-24-41-38(25-28)37-23-19-27-11-3-4-12-30(27)44(37)46-41;1-4-14-31-27(11-1)21-23-38-39-26-29(22-24-41(39)45-44(31)38)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)40-25-28-12-2-3-13-30(28)32-15-5-6-16-33(32)40/h1-30H;2*3-26H,1-2H3;1-26H/i6D,7D,8D,9D,14D,15D,16D,17D;5D,6D,7D,8D,15D,16D,17D,18D;5D,6D,7D,8D,14D,15D,16D,17D;7D,8D,9D,10D,17D,18D,19D,20D
• InChIKey: LGFUGEVNIJWVTE-XBFAGCMSSA-N
• XLogP: 52.41
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.14
LogP ≤ 5	52.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 159341841) is 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(ccc5cc(-c6ccccc6)ccc54)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4c3C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1[2H].

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

The InChIKey is LGFUGEVNIJWVTE-XBFAGCMSSA-N. The full InChI is InChI=1S/C50H30O.2C45H30O.C44H26O/c1-2-10-31(11-3-1)33-21-24-38-34(28-33)18-19-35-29-36(22-25-39(35)38)48-41-14-6-8-16-43(41)49(44-17-9-7-15-42(44)48)37-23-27-47-46(30-37)45-26-20-32-12-4-5-13-40(32)50(45)51-47;1-45(2)39-21-10-9-14-30(39)35-19-11-20-37(43(35)45)42-33-17-7-5-15-31(33)41(32-16-6-8-18-34(32)42)28-23-25-40-38(26-28)36-24-22-27-12-3-4-13-29(27)44(36)46-40;1-45(2)39-18-10-9-13-31(39)32-22-20-29(26-40(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-24-41-38(25-28)37-23-19-27-11-3-4-12-30(27)44(37)46-41;1-4-14-31-27(11-1)21-23-38-39-26-29(22-24-41(39)45-44(31)38)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)40-25-28-12-2-3-13-30(28)32-15-5-6-16-33(32)40/h1-30H;2*3-26H,1-2H3;1-26H/i6D,7D,8D,9D,14D,15D,16D,17D;5D,6D,7D,8D,15D,16D,17D,18D;5D,6D,7D,8D,14D,15D,16D,17D;7D,8D,9D,10D,17D,18D,19D,20D.

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

8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 2423.14 g/mol, XLogP of 52.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(7-phenylphenanthren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 159341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).