7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]

C27H26 — CID 123240888

IUPAC7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]
SMILESCC1=CC2=C(CC1)C1=CC=CCC1C21c2cc(C)ccc2C2=CC=CCC21
InChIInChI=1S/C27H26/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27/h3-8,11,13,15-16,23-24H,9-10,12,14H2,1-2H3
InChIKeyIMNSNRYCLJLAOM-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.76
Rot. Bonds

About 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]

7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] (PubChem CID 123240888) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene].

Molecular Properties

Compound Name7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]
PubChem CID123240888
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]
SMILESCC1=CC2=C(CC1)C1=CC=CCC1C21c2cc(C)ccc2C2=CC=CCC21
InChIInChI=1S/C27H26/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27/h3-8,11,13,15-16,23-24H,9-10,12,14H2,1-2H3
InChIKeyIMNSNRYCLJLAOM-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] with MolForge

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Related Compounds

2,7-dimethyl-3,4-dihydrofluorene-9,9-diamine
CID 144676266
2,10-dimethyl-10-[5-methyl-2-(7-methylcyclohepta-1,3,6-trien-1-yl)phenyl]-8H-benzo[a]azulene;methane
CID 142961363
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
4-(2,4-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 170194585
spiro[1,9a-dihydrofluorene-9,4'-2,3-dihydro-1H-naphthalene]
CID 163783205
14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 134171900
2,7,9,9-tetramethylfluorene
CID 22951928
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
3,7-dimethyl-1,2-dihydronaphthalene;ethane;methane
CID 144671945
(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
CID 155076011
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
3,6-dimethyl-1,2-dihydronaphthalene;propane
CID 144809006

Frequently Asked Questions

What is the IUPAC name of 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]?
The IUPAC name of 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] (CID 123240888) is 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene].
What is the SMILES notation for 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]?
The canonical SMILES for 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] is CC1=CC2=C(CC1)C1=CC=CCC1C21c2cc(C)ccc2C2=CC=CCC21.
What is the InChIKey of 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]?
The InChIKey is IMNSNRYCLJLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-17-11-13-21-19-7-3-5-9-23(19)27(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(2)16-26(22)27/h3-8,11,13,15-16,23-24H,9-10,12,14H2,1-2H3.
What are the key properties of 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene]?
7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] has a molecular weight of 350.51 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-dimethylspiro[1,5,6,9a-tetrahydrofluorene-9,9'-1,9a-dihydrofluorene] is sourced from PubChem (CID 123240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).