2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane

C33H36 — CID 158619451

IUPAC2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
SMILESC.C.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C31H28.2CH4/c1-17-7-9-23-24-10-8-18(2)12-28(24)31(27(23)11-17)29-15-21(5)19(3)13-25(29)26-14-20(4)22(6)16-30(26)31;;/h7-16H,1-6H3;2*1H4
InChIKeyHXUVHAVFJPNKIH-UHFFFAOYSA-N
MW432.65 g/mol
LogP9.15
Rot. Bonds

About 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane

2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane (PubChem CID 158619451) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane.

Molecular Properties

Compound Name2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
PubChem CID158619451
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
SMILESC.C.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C31H28.2CH4/c1-17-7-9-23-24-10-8-18(2)12-28(24)31(27(23)11-17)29-15-21(5)19(3)13-25(29)26-14-20(4)22(6)16-30(26)31;;/h7-16H,1-6H3;2*1H4
InChIKeyHXUVHAVFJPNKIH-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
CID 163763499
CID 58607554
CID 58607554
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene
CID 160898108
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'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
CID 170925493
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 118408607

Frequently Asked Questions

What is the IUPAC name of 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane?
The IUPAC name of 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane (CID 158619451) is 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane.
What is the SMILES notation for 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane?
The canonical SMILES for 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane is C.C.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21.
What is the InChIKey of 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane?
The InChIKey is HXUVHAVFJPNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28.2CH4/c1-17-7-9-23-24-10-8-18(2)12-28(24)31(27(23)11-17)29-15-21(5)19(3)13-25(29)26-14-20(4)22(6)16-30(26)31;;/h7-16H,1-6H3;2*1H4.
What are the key properties of 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane?
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane has a molecular weight of 432.65 g/mol, XLogP of 9.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane is sourced from PubChem (CID 158619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).