1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C173H108O4 — CID 162098569

About 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 162098569) has the molecular formula C173H108O4 and a molecular weight of 2319.18 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 162098569
• Molecular Formula: C173H108O4
• Molecular Weight: 2319.18 g/mol
• Exact Mass: 2317.25
• IUPAC Name: 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: [2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(ccc5ccccc54)c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H]
• InChI: InChI=1S/C45H30O.C44H26O.2C42H26O/c1-45(2)38-18-10-9-13-31(38)32-22-19-29(26-39(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-23-40-37(25-28)44-30-12-4-3-11-27(30)20-24-41(44)46-40;1-3-11-32-27(9-1)17-18-29-25-30(19-22-33(29)32)42-35-13-5-7-15-37(35)43(38-16-8-6-14-36(38)42)31-21-23-40-39(26-31)44-34-12-4-2-10-28(34)20-24-41(44)45-40;1-2-11-27(12-3-1)29-14-10-15-30(25-29)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-22-23-38-37(26-31)42-32-16-5-4-13-28(32)21-24-39(42)43-38;1-2-12-27(13-3-1)30-15-6-7-17-32(30)41-35-20-10-8-18-33(35)40(34-19-9-11-21-36(34)41)29-23-24-38-37(26-29)42-31-16-5-4-14-28(31)22-25-39(42)43-38/h3-26H,1-2H3;1-26H;2*1-26H/i3D,4D,5D,6D,7D,8D,11D,12D,14D,15D,16D,17D,20D,21D,23D,24D,25D;2D,4D,5D,6D,7D,8D,10D,12D,13D,14D,15D,16D,20D,21D,23D,24D,26D;4D,5D,6D,7D,8D,9D,13D,16D,17D,18D,19D,20D,21D,22D,23D,24D,26D;4D,5D,8D,9D,10D,11D,14D,16D,18D,19D,20D,21D,22D,23D,24D,25D,26D
• InChIKey: ZEOOTFPUWVFHPC-VWFHMTCUSA-N
• XLogP: 49.47
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2319.18
LogP ≤ 5	49.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 162098569) is 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

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

The canonical SMILES for 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is [2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4c(ccc5ccccc54)c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c32)c1[2H].

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

The InChIKey is ZEOOTFPUWVFHPC-VWFHMTCUSA-N. The full InChI is InChI=1S/C45H30O.C44H26O.2C42H26O/c1-45(2)38-18-10-9-13-31(38)32-22-19-29(26-39(32)45)43-35-16-7-5-14-33(35)42(34-15-6-8-17-36(34)43)28-21-23-40-37(25-28)44-30-12-4-3-11-27(30)20-24-41(44)46-40;1-3-11-32-27(9-1)17-18-29-25-30(19-22-33(29)32)42-35-13-5-7-15-37(35)43(38-16-8-6-14-36(38)42)31-21-23-40-39(26-31)44-34-12-4-2-10-28(34)20-24-41(44)45-40;1-2-11-27(12-3-1)29-14-10-15-30(25-29)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-22-23-38-37(26-31)42-32-16-5-4-13-28(32)21-24-39(42)43-38;1-2-12-27(13-3-1)30-15-6-7-17-32(30)41-35-20-10-8-18-33(35)40(34-19-9-11-21-36(34)41)29-23-24-38-37(26-29)42-31-16-5-4-14-28(31)22-25-39(42)43-38/h3-26H,1-2H3;1-26H;2*1-26H/i3D,4D,5D,6D,7D,8D,11D,12D,14D,15D,16D,17D,20D,21D,23D,24D,25D;2D,4D,5D,6D,7D,8D,10D,12D,13D,14D,15D,16D,20D,21D,23D,24D,26D;4D,5D,6D,7D,8D,9D,13D,16D,17D,18D,19D,20D,21D,22D,23D,24D,26D;4D,5D,8D,9D,10D,11D,14D,16D,18D,19D,20D,21D,22D,23D,24D,25D,26D.

What are the key properties of 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 2319.18 g/mol, XLogP of 49.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 162098569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).