2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane

C70H88 — CID 159071810

IUPAC2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1ccc(C)cc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21
InChIInChI=1S/2C27H20.8C2H6/c1-17-12-14-25-22(15-17)21-13-11-18(2)16-26(21)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;8*1-2/h2*3-16H,1-2H3;8*1-2H3
InChIKeyJZSZAMHKCNIYNA-UHFFFAOYSA-N
MW929.47 g/mol
LogP21.50
Rot. Bonds

About 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane

2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane (PubChem CID 159071810) has the molecular formula C70H88 and a molecular weight of 929.47 g/mol. Its IUPAC name is 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane.

Molecular Properties

Compound Name2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
PubChem CID159071810
Molecular FormulaC70H88
Molecular Weight929.47 g/mol
Exact Mass928.69
IUPAC Name2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1ccc(C)cc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21
InChIInChI=1S/2C27H20.8C2H6/c1-17-12-14-25-22(15-17)21-13-11-18(2)16-26(21)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;8*1-2/h2*3-16H,1-2H3;8*1-2H3
InChIKeyJZSZAMHKCNIYNA-UHFFFAOYSA-N
XLogP21.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.47
LogP ≤ 521.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane with MolForge

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Related Compounds

CID 58607554
CID 58607554
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
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
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
CID 59167173
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane?
The IUPAC name of 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane (CID 159071810) is 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane.
What is the SMILES notation for 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane?
The canonical SMILES for 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)-c1ccc(C)cc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(C)ccc21.
What is the InChIKey of 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane?
The InChIKey is JZSZAMHKCNIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20.8C2H6/c1-17-12-14-25-22(15-17)21-13-11-18(2)16-26(21)27(25)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-17-11-13-25-21(15-17)19-7-3-5-9-23(19)27(25)24-10-6-4-8-20(24)22-16-18(2)12-14-26(22)27;8*1-2/h2*3-16H,1-2H3;8*1-2H3.
What are the key properties of 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane?
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane has a molecular weight of 929.47 g/mol, XLogP of 21.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane is sourced from PubChem (CID 159071810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).