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

C170H104O4 — CID 163585182

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

2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 163585182) has the molecular formula C170H104O4 and a molecular weight of 2218.75 g/mol. Its IUPAC name is 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 163585182
• Molecular Formula: C170H104O4
• Molecular Weight: 2218.75 g/mol
• Exact Mass: 2216.84
• IUPAC Name: 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/2C46H28O.C42H26O.C36H22O/c1-2-11-29(12-3-1)33-21-23-39-42(26-33)46(36-20-10-16-30-13-6-7-17-35(30)36)38-19-9-8-18-37(38)45(39)34-22-24-43-40(27-34)41-25-31-14-4-5-15-32(31)28-44(41)47-43;1-2-10-29(11-3-1)34-20-22-39-42(26-34)46(35-19-18-30-12-4-5-13-31(30)24-35)38-17-9-8-16-37(38)45(39)36-21-23-43-40(27-36)41-25-32-14-6-7-15-33(32)28-44(41)47-43;1-3-11-27(12-4-1)31-19-21-35-38(24-31)41(28-13-5-2-6-14-28)33-17-9-10-18-34(33)42(35)32-20-22-39-36(25-32)37-23-29-15-7-8-16-30(29)26-40(37)43-39;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h2*1-28H;1-26H;1-22H/i;;;6D,7D,8D,9D,14D,15D,16D,17D
• InChIKey: GKWSVDGDTWTCSB-ZQMRGOARSA-N
• XLogP: 48.83
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2218.75
LogP ≤ 5	48.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 163585182) is 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

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

The canonical SMILES for 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1.

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

The InChIKey is GKWSVDGDTWTCSB-ZQMRGOARSA-N. The full InChI is InChI=1S/2C46H28O.C42H26O.C36H22O/c1-2-11-29(12-3-1)33-21-23-39-42(26-33)46(36-20-10-16-30-13-6-7-17-35(30)36)38-19-9-8-18-37(38)45(39)34-22-24-43-40(27-34)41-25-31-14-4-5-15-32(31)28-44(41)47-43;1-2-10-29(11-3-1)34-20-22-39-42(26-34)46(35-19-18-30-12-4-5-13-31(30)24-35)38-17-9-8-16-37(38)45(39)36-21-23-43-40(27-36)41-25-32-14-6-7-15-33(32)28-44(41)47-43;1-3-11-27(12-4-1)31-19-21-35-38(24-31)41(28-13-5-2-6-14-28)33-17-9-10-18-34(33)42(35)32-20-22-39-36(25-32)37-23-29-15-7-8-16-30(29)26-40(37)43-39;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h2*1-28H;1-26H;1-22H/i;;;6D,7D,8D,9D,14D,15D,16D,17D.

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

2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 2218.75 g/mol, XLogP of 48.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-1-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).