10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C55H34O2 — CID 121325330

About 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 121325330) has the molecular formula C55H34O2 and a molecular weight of 726.88 g/mol. Its IUPAC name is 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 121325330
• Molecular Formula: C55H34O2
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.26
• IUPAC Name: 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: CC1(C)c2cc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)ccc2-c2ccc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)cc21
• InChI: InChI=1S/C55H34O2/c1-55(2)47-27-37(43-25-35-15-7-9-17-39(35)51-45-23-31-11-3-5-13-33(31)29-49(45)56-53(43)51)19-21-41(47)42-22-20-38(28-48(42)55)44-26-36-16-8-10-18-40(36)52-46-24-32-12-4-6-14-34(32)30-50(46)57-54(44)52/h3-30H,1-2H3
• InChIKey: JTCAFGPTTTVUBS-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.88
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 121325330) is 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is CC1(C)c2cc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)ccc2-c2ccc(-c3cc4ccccc4c4c3oc3cc5ccccc5cc34)cc21.

What is the InChIKey of 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is JTCAFGPTTTVUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34O2/c1-55(2)47-27-37(43-25-35-15-7-9-17-39(35)51-45-23-31-11-3-5-13-33(31)29-49(45)56-53(43)51)19-21-41(47)42-22-20-38(28-48(42)55)44-26-36-16-8-10-18-40(36)52-46-24-32-12-4-6-14-34(32)30-50(46)57-54(44)52/h3-30H,1-2H3.

What are the key properties of 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 726.88 g/mol, XLogP of 15.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9,9-dimethyl-7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)fluoren-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 121325330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).