6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene

C60H44O2 — CID 142357666

About 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene

6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 142357666) has the molecular formula C60H44O2 and a molecular weight of 797.01 g/mol. Its IUPAC name is 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene
• PubChem CID: 142357666
• Molecular Formula: C60H44O2
• Molecular Weight: 797.01 g/mol
• Exact Mass: 796.33
• IUPAC Name: 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene
• SMILES: CC1(C)c2cc(-c3ccc(C4=CCCC=C4)cc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(-c4ccccc4)cc2)c2oc4ccccc4c2c1-3
• InChI: InChI=1S/C60H44O2/c1-59(2)47-34-46(40-29-25-38(26-30-40)36-17-9-6-10-18-36)57-54(42-20-12-14-22-50(42)61-57)52(47)43-31-32-44-53-48(60(3,4)56(44)55(43)59)33-45(51-41-19-11-13-21-49(41)62-58(51)53)39-27-23-37(24-28-39)35-15-7-5-8-16-35/h6-7,9-34H,5,8H2,1-4H3
• InChIKey: REABUIGSIYLEPP-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.01
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene?

The IUPAC name of 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene (CID 142357666) is 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene.

What is the SMILES notation for 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene?

The canonical SMILES for 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene is CC1(C)c2cc(-c3ccc(C4=CCCC=C4)cc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(-c4ccccc4)cc2)c2oc4ccccc4c2c1-3.

What is the InChIKey of 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene?

The InChIKey is REABUIGSIYLEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44O2/c1-59(2)47-34-46(40-29-25-38(26-30-40)36-17-9-6-10-18-36)57-54(42-20-12-14-22-50(42)61-57)52(47)43-31-32-44-53-48(60(3,4)56(44)55(43)59)33-45(51-41-19-11-13-21-49(41)62-58(51)53)39-27-23-37(24-28-39)35-15-7-5-8-16-35/h6-7,9-34H,5,8H2,1-4H3.

What are the key properties of 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene?

6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 797.01 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 142357666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).