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

C166H106O4 — CID 161039164

About 1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 161039164) has the molecular formula C166H106O4 and a molecular weight of 2229.06 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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 161039164
• Molecular Formula: C166H106O4
• Molecular Weight: 2229.06 g/mol
• Exact Mass: 2227.21
• IUPAC Name: 1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: [2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)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)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([2H])c([2H])c2c(c1[2H])-c1c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c1C2(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c1C2(C)C
• InChI: InChI=1S/2C45H30O.C40H24O.C36H22O/c1-45(2)37-20-10-9-18-34(37)43-35(19-11-21-38(43)45)42-32-16-7-5-14-30(32)41(31-15-6-8-17-33(31)42)28-23-24-39-36(26-28)44-29-13-4-3-12-27(29)22-25-40(44)46-39;1-45(2)38-18-10-9-13-31(38)36-25-28(19-22-39(36)45)42-32-14-5-7-16-34(32)43(35-17-8-6-15-33(35)42)29-21-23-40-37(26-29)44-30-12-4-3-11-27(30)20-24-41(44)46-40;1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-22-36-35(24-27)40-29-14-4-2-11-26(29)20-23-37(40)41-36;1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-20-32-31(22-25)36-26-13-5-4-10-23(26)18-21-33(36)37-32/h2*3-26H,1-2H3;1-24H;1-22H/i5D,6D,7D,8D,9D,10D,11D,14D,15D,16D,17D,18D,19D,20D,21D;5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,22D,25D;2D,4D,5D,6D,7D,8D,11D,14D,15D,16D,17D,18D,20D,21D,22D,23D,24D;4D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D
• InChIKey: UAQROXSXJGWKKG-NDRHJQTFSA-N
• XLogP: 47.28
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2229.06
LogP ≤ 5	47.28
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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 161039164) is 1,2,3,4,5,6,8,9,11-nonadeuterio-10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is [2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)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)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([2H])c([2H])c2c(c1[2H])-c1c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c([2H])c1C2(C)C.[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c([2H])c1C2(C)C.

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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is UAQROXSXJGWKKG-NDRHJQTFSA-N. The full InChI is InChI=1S/2C45H30O.C40H24O.C36H22O/c1-45(2)37-20-10-9-18-34(37)43-35(19-11-21-38(43)45)42-32-16-7-5-14-30(32)41(31-15-6-8-17-33(31)42)28-23-24-39-36(26-28)44-29-13-4-3-12-27(29)22-25-40(44)46-39;1-45(2)38-18-10-9-13-31(38)36-25-28(19-22-39(36)45)42-32-14-5-7-16-34(32)43(35-17-8-6-15-33(35)42)29-21-23-40-37(26-29)44-30-12-4-3-11-27(30)20-24-41(44)46-40;1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-22-36-35(24-27)40-29-14-4-2-11-26(29)20-23-37(40)41-36;1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-20-32-31(22-25)36-26-13-5-4-10-23(26)18-21-33(36)37-32/h2*3-26H,1-2H3;1-24H;1-22H/i5D,6D,7D,8D,9D,10D,11D,14D,15D,16D,17D,18D,19D,20D,21D;5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,22D,25D;2D,4D,5D,6D,7D,8D,11D,14D,15D,16D,17D,18D,20D,21D,22D,23D,24D;4D,5D,6D,7D,8D,9D,10D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D.

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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 2229.06 g/mol, XLogP of 47.28, 8 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-naphthalen-1-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-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-4-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 161039164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).