5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]

C50H46O — CID 177083225

About 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]

5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane] (PubChem CID 177083225) has the molecular formula C50H46O and a molecular weight of 662.92 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane].

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]
• PubChem CID: 177083225
• Molecular Formula: C50H46O
• Molecular Weight: 662.92 g/mol
• Exact Mass: 662.35
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]
• SMILES: CC1(C)CC(C)(C)CC2(C1)c1ccccc1-c1c2c2c(c3ccccc13)OC(c1ccccc1)(c1ccc3c(c1)C(C)(C)c1ccccc1-3)C=C2
• InChI: InChI=1S/C50H46O/c1-46(2)29-47(3,4)31-49(30-46)41-23-15-13-21-38(41)43-36-19-10-11-20-37(36)45-39(44(43)49)26-27-50(51-45,32-16-8-7-9-17-32)33-24-25-35-34-18-12-14-22-40(34)48(5,6)42(35)28-33/h7-28H,29-31H2,1-6H3
• InChIKey: YZKCBJBTDLWSBE-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.92
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane] (CID 177083225) is 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane].

What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]?

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane] is CC1(C)CC(C)(C)CC2(C1)c1ccccc1-c1c2c2c(c3ccccc13)OC(c1ccccc1)(c1ccc3c(c1)C(C)(C)c1ccccc1-3)C=C2.

What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]?

The InChIKey is YZKCBJBTDLWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46O/c1-46(2)29-47(3,4)31-49(30-46)41-23-15-13-21-38(41)43-36-19-10-11-20-37(36)45-39(44(43)49)26-27-50(51-45,32-16-8-7-9-17-32)33-24-25-35-34-18-12-14-22-40(34)48(5,6)42(35)28-33/h7-28H,29-31H2,1-6H3.

What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]?

5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane] has a molecular weight of 662.92 g/mol, XLogP of 13.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylfluoren-2-yl)-1',1',5',5'-tetramethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane] is sourced from PubChem (CID 177083225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).