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

C35H34 — CID 163289499

IUPAC1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]
SMILESC=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C35H34/c1-8-22-17-18-26-27-20-23(33(2,3)4)21-31(34(5,6)7)32(27)35(30(26)19-22)28-15-11-9-13-24(28)25-14-10-12-16-29(25)35/h8-21H,1H2,2-7H3
InChIKeyJWGAENBMQQAHMM-UHFFFAOYSA-N
MW454.66 g/mol
LogP9.27
Rot. Bonds1

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

1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene] (PubChem CID 163289499) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]
PubChem CID163289499
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]
SMILESC=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C35H34/c1-8-22-17-18-26-27-20-23(33(2,3)4)21-31(34(5,6)7)32(27)35(30(26)19-22)28-15-11-9-13-24(28)25-14-10-12-16-29(25)35/h8-21H,1H2,2-7H3
InChIKeyJWGAENBMQQAHMM-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]
CID 163289482
2-ethenyl-9,9-diphenylfluorene
CID 144583514
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
9,9-bis(3,4-ditert-butylphenyl)fluorene
CID 164732300
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
CID 163768086
2-[2',7'-bis(2,4,6-tritert-butylphenyl)-9,9'-spirobi[fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168909014
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468

Frequently Asked Questions

What is the IUPAC name of 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene] (CID 163289499) is 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene] is C=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'-ethenyl-9,9'-spirobi[fluorene]?
The InChIKey is JWGAENBMQQAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34/c1-8-22-17-18-26-27-20-23(33(2,3)4)21-31(34(5,6)7)32(27)35(30(26)19-22)28-15-11-9-13-24(28)25-14-10-12-16-29(25)35/h8-21H,1H2,2-7H3.
What are the key properties of 1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene]?
1',3'-ditert-butyl-7'-ethenyl-9,9'-spirobi[fluorene] has a molecular weight of 454.66 g/mol, XLogP of 9.27, 1 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'-ethenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 163289499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).