5-bromo-2-ethyl-9,9'-spirobi[fluorene]

C27H19Br — CID 142521287

IUPAC5-bromo-2-ethyl-9,9'-spirobi[fluorene]
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(Br)c1-2
InChIInChI=1S/C27H19Br/c1-2-17-14-15-20-24(16-17)27(23-12-7-13-25(28)26(20)23)21-10-5-3-8-18(21)19-9-4-6-11-22(19)27/h3-16H,2H2,1H3
InChIKeyJSZGUGUICSENPS-UHFFFAOYSA-N
MW423.35 g/mol
LogP7.36
Rot. Bonds1

About 5-bromo-2-ethyl-9,9'-spirobi[fluorene]

5-bromo-2-ethyl-9,9'-spirobi[fluorene] (PubChem CID 142521287) has the molecular formula C27H19Br and a molecular weight of 423.35 g/mol. Its IUPAC name is 5-bromo-2-ethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name5-bromo-2-ethyl-9,9'-spirobi[fluorene]
PubChem CID142521287
Molecular FormulaC27H19Br
Molecular Weight423.35 g/mol
Exact Mass422.07
IUPAC Name5-bromo-2-ethyl-9,9'-spirobi[fluorene]
SMILESCCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(Br)c1-2
InChIInChI=1S/C27H19Br/c1-2-17-14-15-20-24(16-17)27(23-12-7-13-25(28)26(20)23)21-10-5-3-8-18(21)19-9-4-6-11-22(19)27/h3-16H,2H2,1H3
InChIKeyJSZGUGUICSENPS-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 147955963
2',7'-diethylspiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 122504097
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
CID 59760556
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 5-bromo-2-ethyl-9,9'-spirobi[fluorene] (CID 142521287) is 5-bromo-2-ethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 5-bromo-2-ethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 5-bromo-2-ethyl-9,9'-spirobi[fluorene] is CCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(Br)c1-2.
What is the InChIKey of 5-bromo-2-ethyl-9,9'-spirobi[fluorene]?
The InChIKey is JSZGUGUICSENPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Br/c1-2-17-14-15-20-24(16-17)27(23-12-7-13-25(28)26(20)23)21-10-5-3-8-18(21)19-9-4-6-11-22(19)27/h3-16H,2H2,1H3.
What are the key properties of 5-bromo-2-ethyl-9,9'-spirobi[fluorene]?
5-bromo-2-ethyl-9,9'-spirobi[fluorene] has a molecular weight of 423.35 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142521287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).