2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]

C106H88O2 — CID 160850236

IUPAC2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]
SMILESCc1ccc2c(c1)C1(CCC(=O)CC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCOC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCc3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1(Cc3ccccc3C1)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H18.2C22H18.C19H18O.C17H16O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-15-10-11-18-17-7-3-5-9-20(17)22(21(18)14-15)13-12-16-6-2-4-8-19(16)22;1-15-10-11-19-18-8-4-5-9-20(18)22(21(19)12-15)13-16-6-2-3-7-17(16)14-22;1-13-6-7-16-15-4-2-3-5-17(15)19(18(16)12-13)10-8-14(20)9-11-19;1-12-6-7-14-13-4-2-3-5-15(13)17(16(14)10-12)8-9-18-11-17/h2-16H,1H3;2-11,14H,12-13H2,1H3;2-12H,13-14H2,1H3;2-7,12H,8-11H2,1H3;2-7,10H,8-9,11H2,1H3
InChIKeySJDZDDZVOVSTDT-UHFFFAOYSA-N
MW1393.87 g/mol
LogP24.74
Rot. Bonds

About 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]

2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] (PubChem CID 160850236) has the molecular formula C106H88O2 and a molecular weight of 1393.87 g/mol. Its IUPAC name is 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane].

Molecular Properties

Compound Name2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]
PubChem CID160850236
Molecular FormulaC106H88O2
Molecular Weight1393.87 g/mol
Exact Mass1392.68
IUPAC Name2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]
SMILESCc1ccc2c(c1)C1(CCC(=O)CC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCOC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCc3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1(Cc3ccccc3C1)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H18.2C22H18.C19H18O.C17H16O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-15-10-11-18-17-7-3-5-9-20(17)22(21(18)14-15)13-12-16-6-2-4-8-19(16)22;1-15-10-11-19-18-8-4-5-9-20(18)22(21(19)12-15)13-16-6-2-3-7-17(16)14-22;1-13-6-7-16-15-4-2-3-5-17(15)19(18(16)12-13)10-8-14(20)9-11-19;1-12-6-7-14-13-4-2-3-5-15(13)17(16(14)10-12)8-9-18-11-17/h2-16H,1H3;2-11,14H,12-13H2,1H3;2-12H,13-14H2,1H3;2-7,12H,8-11H2,1H3;2-7,10H,8-9,11H2,1H3
InChIKeySJDZDDZVOVSTDT-UHFFFAOYSA-N
XLogP24.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.87
LogP ≤ 524.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] with MolForge

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Related Compounds

2',7'-dimethylspiro[cyclooctane-1,9'-fluorene];2',7'-dimethylspiro[2H-indene-3,9'-fluorene]-1-one;2'-methylspiro[2H-indene-3,9'-fluorene]-1-one
CID 159075202
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
CID 58607554
CID 58607554
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
2',7'-dimethylspiro[7,17-dioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-2,9'-fluorene]-6,8,16,18-tetrone;methane
CID 163656399
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
1',2-dimethylspiro[fluorene-9,3'-pyrrolidine]
CID 59757185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]?
The IUPAC name of 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] (CID 160850236) is 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane].
What is the SMILES notation for 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]?
The canonical SMILES for 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] is Cc1ccc2c(c1)C1(CCC(=O)CC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCOC1)c1ccccc1-2.Cc1ccc2c(c1)C1(CCc3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1(Cc3ccccc3C1)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]?
The InChIKey is SJDZDDZVOVSTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.2C22H18.C19H18O.C17H16O/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-15-10-11-18-17-7-3-5-9-20(17)22(21(18)14-15)13-12-16-6-2-4-8-19(16)22;1-15-10-11-19-18-8-4-5-9-20(18)22(21(19)12-15)13-16-6-2-3-7-17(16)14-22;1-13-6-7-16-15-4-2-3-5-17(15)19(18(16)12-13)10-8-14(20)9-11-19;1-12-6-7-14-13-4-2-3-5-15(13)17(16(14)10-12)8-9-18-11-17/h2-16H,1H3;2-11,14H,12-13H2,1H3;2-12H,13-14H2,1H3;2-7,12H,8-11H2,1H3;2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane]?
2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] has a molecular weight of 1393.87 g/mol, XLogP of 24.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-4,9'-fluorene]-1-one;2'-methylspiro[1,2-dihydroindene-3,9'-fluorene];2'-methylspiro[1,3-dihydroindene-2,9'-fluorene];2-methylspiro[fluorene-9,3'-oxolane] is sourced from PubChem (CID 160850236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).