8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C126H94O3 — CID 158500156

About 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 158500156) has the molecular formula C126H94O3 and a molecular weight of 1656.13 g/mol. Its IUPAC name is 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• PubChem CID: 158500156
• Molecular Formula: C126H94O3
• Molecular Weight: 1656.13 g/mol
• Exact Mass: 1654.72
• IUPAC Name: 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
• SMILES: CC(C)(C)c1ccc2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.CC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1.c1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C44H38O.C42H26O.C40H30O/c1-43(2,3)30-19-22-34-37(25-30)40(28-13-8-7-9-14-28)33-21-18-31(44(4,5)6)26-38(33)41(34)29-17-23-39-36(24-29)35-20-16-27-12-10-11-15-32(27)42(35)45-39;1-3-11-27(12-4-1)30-20-22-35-38(25-30)40(29-14-5-2-6-15-29)33-17-9-10-18-34(33)41(35)31-21-24-39-37(26-31)36-23-19-28-13-7-8-16-32(28)42(36)43-39;1-40(2,3)28-19-21-32-35(24-28)38(31-16-10-9-15-30(31)37(32)26-12-5-4-6-13-26)27-18-22-36-34(23-27)33-20-17-25-11-7-8-14-29(25)39(33)41-36/h7-26H,1-6H3;1-26H;4-24H,1-3H3
• InChIKey: HJUCWJPXZOMMMU-UHFFFAOYSA-N
• XLogP: 36.70
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.13
LogP ≤ 5	36.70
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 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 158500156) is 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is CC(C)(C)c1ccc2c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.CC(C)(C)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c2c1.c1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

The InChIKey is HJUCWJPXZOMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O.C42H26O.C40H30O/c1-43(2,3)30-19-22-34-37(25-30)40(28-13-8-7-9-14-28)33-21-18-31(44(4,5)6)26-38(33)41(34)29-17-23-39-36(24-29)35-20-16-27-12-10-11-15-32(27)42(35)45-39;1-3-11-27(12-4-1)30-20-22-35-38(25-30)40(29-14-5-2-6-15-29)33-17-9-10-18-34(33)41(35)31-21-24-39-37(26-31)36-23-19-28-13-7-8-16-32(28)42(36)43-39;1-40(2,3)28-19-21-32-35(24-28)38(31-16-10-9-15-30(31)37(32)26-12-5-4-6-13-26)27-18-22-36-34(23-27)33-20-17-25-11-7-8-14-29(25)39(33)41-36/h7-26H,1-6H3;1-26H;4-24H,1-3H3.

What are the key properties of 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?

8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 1656.13 g/mol, XLogP of 36.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 158500156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).