4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran

C144H138O6 — CID 160855138

About 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran

4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran (PubChem CID 160855138) has the molecular formula C144H138O6 and a molecular weight of 1982.79 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran
• PubChem CID: 160855138
• Molecular Formula: C144H138O6
• Molecular Weight: 1982.79 g/mol
• Exact Mass: 1981.16
• IUPAC Name: 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran
• SMILES: [2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c(ccc4ccc5ccccc5c43)c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c4ccc5ccccc5c4ccc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c4ccccc4ccc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3cc4c(ccc5ccccc54)cc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3cc4ccccc4cc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3ccc4ccccc4c3c12
• InChI: InChI=1S/3C26H24O.3C22H22O/c1-15-12-16(2)24(26(3,4)5)25-23(15)21-13-18-11-10-17-8-6-7-9-19(17)20(18)14-22(21)27-25;1-15-14-16(2)23(26(3,4)5)25-21(15)20-13-12-18-11-10-17-8-6-7-9-19(17)22(18)24(20)27-25;1-15-14-16(2)23(26(3,4)5)25-22(15)21-13-12-19-18-9-7-6-8-17(18)10-11-20(19)24(21)27-25;1-13-10-14(2)20(22(3,4)5)21-19(13)17-11-15-8-6-7-9-16(15)12-18(17)23-21;1-13-12-14(2)20(22(3,4)5)21-18(13)19-16-9-7-6-8-15(16)10-11-17(19)23-21;1-13-12-14(2)19(22(3,4)5)21-18(13)17-11-10-15-8-6-7-9-16(15)20(17)23-21/h3*6-14H,1-5H3;3*6-12H,1-5H3/i6*1D3
• InChIKey: SJTKVSBZVGFTCF-HINCQLCJSA-N
• XLogP: 43.38
• TPSA: 78.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1982.79
LogP ≤ 5	43.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran?

The IUPAC name of 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran (CID 160855138) is 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran.

What is the SMILES notation for 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran?

The canonical SMILES for 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran is [2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c(ccc4ccc5ccccc5c43)c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c4ccc5ccccc5c4ccc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3c4ccccc4ccc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3cc4c(ccc5ccccc54)cc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3cc4ccccc4cc3c12.[2H]C([2H])([2H])c1cc(C)c(C(C)(C)C)c2oc3ccc4ccccc4c3c12.

What is the InChIKey of 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran?

The InChIKey is SJTKVSBZVGFTCF-HINCQLCJSA-N. The full InChI is InChI=1S/3C26H24O.3C22H22O/c1-15-12-16(2)24(26(3,4)5)25-23(15)21-13-18-11-10-17-8-6-7-9-19(17)20(18)14-22(21)27-25;1-15-14-16(2)23(26(3,4)5)25-21(15)20-13-12-18-11-10-17-8-6-7-9-19(17)22(18)24(20)27-25;1-15-14-16(2)23(26(3,4)5)25-22(15)21-13-12-19-18-9-7-6-8-17(18)10-11-20(19)24(21)27-25;1-13-10-14(2)20(22(3,4)5)21-19(13)17-11-15-8-6-7-9-16(15)12-18(17)23-21;1-13-12-14(2)20(22(3,4)5)21-18(13)19-16-9-7-6-8-15(16)10-11-17(19)23-21;1-13-12-14(2)19(22(3,4)5)21-18(13)17-11-10-15-8-6-7-9-16(15)20(17)23-21/h3*6-14H,1-5H3;3*6-12H,1-5H3/i6*1D3.

What are the key properties of 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran?

4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran has a molecular weight of 1982.79 g/mol, XLogP of 43.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran is sourced from PubChem (CID 160855138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).