5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

C44H40 — CID 59181920

About 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (PubChem CID 59181920) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

Molecular Properties

• Compound Name: 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
• PubChem CID: 59181920
• Molecular Formula: C44H40
• Molecular Weight: 568.80 g/mol
• Exact Mass: 568.31
• IUPAC Name: 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(-c3cc(C)cc(C)c3)cc2C4(C)C)c1
• InChI: InChI=1S/C44H40/c1-25-17-26(2)20-31(19-25)29-9-11-33-35-13-14-36-34-12-10-30(32-21-27(3)18-28(4)22-32)24-40(34)44(7,8)38-16-15-37(41(35)42(36)38)43(5,6)39(33)23-29/h9-24H,1-8H3
• InChIKey: QYVMDXUEQBNMEW-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.80
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?

The IUPAC name of 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (CID 59181920) is 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

What is the SMILES notation for 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?

The canonical SMILES for 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(-c3cc(C)cc(C)c3)cc2C4(C)C)c1.

What is the InChIKey of 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?

The InChIKey is QYVMDXUEQBNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40/c1-25-17-26(2)20-31(19-25)29-9-11-33-35-13-14-36-34-12-10-30(32-21-27(3)18-28(4)22-32)24-40(34)44(7,8)38-16-15-37(41(35)42(36)38)43(5,6)39(33)23-29/h9-24H,1-8H3.

What are the key properties of 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?

5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene has a molecular weight of 568.80 g/mol, XLogP of 12.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is sourced from PubChem (CID 59181920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).