1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]

C34H34 — CID 163289482

IUPAC1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C34H34/c1-21-16-17-25-26-19-22(32(2,3)4)20-30(33(5,6)7)31(26)34(29(25)18-21)27-14-10-8-12-23(27)24-13-9-11-15-28(24)34/h8-20H,1-7H3
InChIKeyCYUVETATGLHXIW-UHFFFAOYSA-N
MW442.65 g/mol
LogP8.93
Rot. Bonds

About 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]

1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] (PubChem CID 163289482) has the molecular formula C34H34 and a molecular weight of 442.65 g/mol. Its IUPAC name is 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]
PubChem CID163289482
Molecular FormulaC34H34
Molecular Weight442.65 g/mol
Exact Mass442.27
IUPAC Name1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C34H34/c1-21-16-17-25-26-19-22(32(2,3)4)20-30(33(5,6)7)31(26)34(29(25)18-21)27-14-10-8-12-23(27)24-13-9-11-15-28(24)34/h8-20H,1-7H3
InChIKeyCYUVETATGLHXIW-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] 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

1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]
CID 163289499
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
N,N-bis(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-4-amine;1',3'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;9,9-diphenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine
CID 159189372
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
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
12,12-bis(4-tert-butylphenyl)-2,6,6-trimethylindeno[1,2-b]fluorene
CID 163875744

Frequently Asked Questions

What is the IUPAC name of 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] (CID 163289482) is 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]?
The InChIKey is CYUVETATGLHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34/c1-21-16-17-25-26-19-22(32(2,3)4)20-30(33(5,6)7)31(26)34(29(25)18-21)27-14-10-8-12-23(27)24-13-9-11-15-28(24)34/h8-20H,1-7H3.
What are the key properties of 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]?
1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 442.65 g/mol, XLogP of 8.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 163289482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).