7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C50H36O — CID 118145607

About 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 118145607) has the molecular formula C50H36O and a molecular weight of 652.84 g/mol. Its IUPAC name is 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

• Compound Name: 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• PubChem CID: 118145607
• Molecular Formula: C50H36O
• Molecular Weight: 652.84 g/mol
• Exact Mass: 652.28
• IUPAC Name: 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc(c7cccc3c47)c56)cc21
• InChI: InChI=1S/C50H36O/c1-49(2)41-17-7-5-11-33(41)35-21-19-29(27-43(35)49)31-23-25-45-47-37(31)13-9-15-39(47)40-16-10-14-38-32(24-26-46(51-45)48(38)40)30-20-22-36-34-12-6-8-18-42(34)50(3,4)44(36)28-30/h5-28H,1-4H3
• InChIKey: DQQJOWGGTSZHFC-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.84
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The IUPAC name of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 118145607) is 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

What is the SMILES notation for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The canonical SMILES for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc(c7cccc3c47)c56)cc21.

What is the InChIKey of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The InChIKey is DQQJOWGGTSZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36O/c1-49(2)41-17-7-5-11-33(41)35-21-19-29(27-43(35)49)31-23-25-45-47-37(31)13-9-15-39(47)40-16-10-14-38-32(24-26-46(51-45)48(38)40)30-20-22-36-34-12-6-8-18-42(34)50(3,4)44(36)28-30/h5-28H,1-4H3.

What are the key properties of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene has a molecular weight of 652.84 g/mol, XLogP of 13.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 118145607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).