5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]

C128H132 — CID 160874202

IUPAC5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CC=CCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCC(C)CC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(c3cc(C)c4ccccc4c3-2)C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H32.2C25H26.2C25H24/c1-18-12-13-22-23(16-18)28(26(3,4)14-9-15-27(28,5)6)24-17-19(2)20-10-7-8-11-21(20)25(22)24;1-16-10-12-25(13-11-16)22-14-17(2)8-9-21(22)24-20-7-5-4-6-19(20)18(3)15-23(24)25;3*1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h7-8,10-13,16-17H,9,14-15H2,1-6H3;4-9,14-16H,10-13H2,1-3H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;5-7,9-13,15-16H,3-4,8,14H2,1-2H3;3,5-7,9-12,15-16H,4,8,13-14H2,1-2H3
InChIKeySMDXOCUQDUDRJS-UHFFFAOYSA-N
MW1670.46 g/mol
LogP35.68
Rot. Bonds

About 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]

5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 160874202) has the molecular formula C128H132 and a molecular weight of 1670.46 g/mol. Its IUPAC name is 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID160874202
Molecular FormulaC128H132
Molecular Weight1670.46 g/mol
Exact Mass1669.03
IUPAC Name5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CC=CCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCC(C)CC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(c3cc(C)c4ccccc4c3-2)C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H32.2C25H26.2C25H24/c1-18-12-13-22-23(16-18)28(26(3,4)14-9-15-27(28,5)6)24-17-19(2)20-10-7-8-11-21(20)25(22)24;1-16-10-12-25(13-11-16)22-14-17(2)8-9-21(22)24-20-7-5-4-6-19(20)18(3)15-23(24)25;3*1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h7-8,10-13,16-17H,9,14-15H2,1-6H3;4-9,14-16H,10-13H2,1-3H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;5-7,9-13,15-16H,3-4,8,14H2,1-2H3;3,5-7,9-12,15-16H,4,8,13-14H2,1-2H3
InChIKeySMDXOCUQDUDRJS-UHFFFAOYSA-N
XLogP35.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001670.46
LogP ≤ 535.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] with MolForge

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Related Compounds

5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene]
CID 59318759
(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
CID 59318731
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 59243882
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
CID 59318742
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
9-bromo-5-(2,3,4,5,6-pentamethylphenyl)spiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 118360866
9,9-diethyl-2-methylfluorene;9-methyl-2-(4-methylphenyl)-9-phenylfluorene;2'-methylspiro[cyclohexane-1,9'-fluorene];2'-methylspiro[cyclopentane-1,9'-fluorene];5,7,7-trimethylbenzo[c]fluorene;7,7,9-trimethylbenzo[c]fluorene
CID 158463166
9,9-diethyl-2-methylfluorene;2-methyl-9,9'-spirobi[fluorene];2'-methylspiro[cyclohexane-1,9'-fluorene];2'-methylspiro[cyclopentane-1,9'-fluorene];1-methyl-4-tritylbenzene;5,7,7-trimethylbenzo[c]fluorene;7,7,9-trimethylbenzo[c]fluorene
CID 159993387
5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
CID 90277873
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
spiro[cycloheptene-3,9'-fluorene]
CID 134848598

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 160874202) is 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] is Cc1ccc2c(c1)C1(C=CCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CC=CCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCC(C)CC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(CCCCCC1)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C1(c3cc(C)c4ccccc4c3-2)C(C)(C)CCCC1(C)C.
What is the InChIKey of 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is SMDXOCUQDUDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32.2C25H26.2C25H24/c1-18-12-13-22-23(16-18)28(26(3,4)14-9-15-27(28,5)6)24-17-19(2)20-10-7-8-11-21(20)25(22)24;1-16-10-12-25(13-11-16)22-14-17(2)8-9-21(22)24-20-7-5-4-6-19(20)18(3)15-23(24)25;3*1-17-11-12-21-22(15-17)25(13-7-3-4-8-14-25)23-16-18(2)19-9-5-6-10-20(19)24(21)23/h7-8,10-13,16-17H,9,14-15H2,1-6H3;4-9,14-16H,10-13H2,1-3H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;5-7,9-13,15-16H,3-4,8,14H2,1-2H3;3,5-7,9-12,15-16H,4,8,13-14H2,1-2H3.
What are the key properties of 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 1670.46 g/mol, XLogP of 35.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylspiro[benzo[c]fluorene-7,1'-cycloheptane];5,9-dimethylspiro[benzo[c]fluorene-7,3'-cycloheptene];5,9-dimethylspiro[benzo[c]fluorene-7,4'-cycloheptene];1',1',3',3',5,9-hexamethylspiro[benzo[c]fluorene-7,2'-cyclohexane];4',5,9-trimethylspiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 160874202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).