9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]

C117H100 — CID 160656116

About 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]

9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene] (PubChem CID 160656116) has the molecular formula C117H100 and a molecular weight of 1506.09 g/mol. Its IUPAC name is 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

• Compound Name: 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]
• PubChem CID: 160656116
• Molecular Formula: C117H100
• Molecular Weight: 1506.09 g/mol
• Exact Mass: 1504.78
• IUPAC Name: 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]
• SMILES: CC1(C)c2ccccc2-c2ccccc21.CCC1(CC)c2ccccc2-c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)-c1ccccc1C21CCCCC1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H16.C25H18.C18H18.C17H16.C17H18.C15H14/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)18;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17;1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1-16H;1-18H;2-5,8-11H,1,6-7,12-13H2;1-4,7-10H,5-6,11-12H2;5-12H,3-4H2,1-2H3;3-10H,1-2H3
• InChIKey: RLBLZXHFONSWNX-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1506.09
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]?

The IUPAC name of 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene] (CID 160656116) is 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene].

What is the SMILES notation for 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]?

The canonical SMILES for 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene] is CC1(C)c2ccccc2-c2ccccc21.CCC1(CC)c2ccccc2-c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)-c1ccccc1C21CCCCC1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]?

The InChIKey is RLBLZXHFONSWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C25H18.C18H18.C17H16.C17H18.C15H14/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)18;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17;1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1-16H;1-18H;2-5,8-11H,1,6-7,12-13H2;1-4,7-10H,5-6,11-12H2;5-12H,3-4H2,1-2H3;3-10H,1-2H3.

What are the key properties of 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]?

9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 1506.09 g/mol, XLogP of 30.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diethylfluorene;9,9-dimethylfluorene;9,9-diphenylfluorene;9,9'-spirobi[fluorene];spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 160656116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).