4'-bromo-2'-chloro-9,9'-spirobi[fluorene]

C25H14BrCl — CID 155003673

IUPAC4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
SMILESClc1cc(Br)c2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H14BrCl/c26-23-14-15(27)13-22-24(23)18-9-3-6-12-21(18)25(22)19-10-4-1-7-16(19)17-8-2-5-11-20(17)25/h1-14H
InChIKeyMEYHDLMUAJYLRB-UHFFFAOYSA-N
MW429.74 g/mol
LogP7.45
Rot. Bonds

About 4'-bromo-2'-chloro-9,9'-spirobi[fluorene]

4'-bromo-2'-chloro-9,9'-spirobi[fluorene] (PubChem CID 155003673) has the molecular formula C25H14BrCl and a molecular weight of 429.74 g/mol. Its IUPAC name is 4'-bromo-2'-chloro-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
PubChem CID155003673
Molecular FormulaC25H14BrCl
Molecular Weight429.74 g/mol
Exact Mass428.00
IUPAC Name4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
SMILESClc1cc(Br)c2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H14BrCl/c26-23-14-15(27)13-22-24(23)18-9-3-6-12-21(18)25(22)19-10-4-1-7-16(19)17-8-2-5-11-20(17)25/h1-14H
InChIKeyMEYHDLMUAJYLRB-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 57.45
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
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
CID 102192841
CID 102192841
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]
CID 165158290
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
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
4-bromo-3-iodo-9,9'-spirobi[fluorene]
CID 156756658

Frequently Asked Questions

What is the IUPAC name of 4'-bromo-2'-chloro-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-bromo-2'-chloro-9,9'-spirobi[fluorene] (CID 155003673) is 4'-bromo-2'-chloro-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-bromo-2'-chloro-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-bromo-2'-chloro-9,9'-spirobi[fluorene] is Clc1cc(Br)c2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 4'-bromo-2'-chloro-9,9'-spirobi[fluorene]?
The InChIKey is MEYHDLMUAJYLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrCl/c26-23-14-15(27)13-22-24(23)18-9-3-6-12-21(18)25(22)19-10-4-1-7-16(19)17-8-2-5-11-20(17)25/h1-14H.
What are the key properties of 4'-bromo-2'-chloro-9,9'-spirobi[fluorene]?
4'-bromo-2'-chloro-9,9'-spirobi[fluorene] has a molecular weight of 429.74 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-bromo-2'-chloro-9,9'-spirobi[fluorene] is sourced from PubChem (CID 155003673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).