4-bromo-3-iodo-9,9'-spirobi[fluorene]

C25H14BrI — CID 156756658

IUPAC4-bromo-3-iodo-9,9'-spirobi[fluorene]
SMILESBrc1c(I)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14BrI/c26-24-22(27)14-13-21-23(24)17-9-3-6-12-20(17)25(21)18-10-4-1-7-15(18)16-8-2-5-11-19(16)25/h1-14H
InChIKeyBNTDRJLSWNQLLV-UHFFFAOYSA-N
MW521.20 g/mol
LogP7.40
Rot. Bonds

About 4-bromo-3-iodo-9,9'-spirobi[fluorene]

4-bromo-3-iodo-9,9'-spirobi[fluorene] (PubChem CID 156756658) has the molecular formula C25H14BrI and a molecular weight of 521.20 g/mol. Its IUPAC name is 4-bromo-3-iodo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4-bromo-3-iodo-9,9'-spirobi[fluorene]
PubChem CID156756658
Molecular FormulaC25H14BrI
Molecular Weight521.20 g/mol
Exact Mass519.93
IUPAC Name4-bromo-3-iodo-9,9'-spirobi[fluorene]
SMILESBrc1c(I)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14BrI/c26-24-22(27)14-13-21-23(24)17-9-3-6-12-20(17)25(21)18-10-4-1-7-15(18)16-8-2-5-11-19(16)25/h1-14H
InChIKeyBNTDRJLSWNQLLV-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.20
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
CID 102532137
CID 102532137
1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]
CID 22016044
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144864353
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-bromo-3-nitro-9,9-diphenylfluorene
CID 177370574
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-9,9'-spirobi[fluorene]?
The IUPAC name of 4-bromo-3-iodo-9,9'-spirobi[fluorene] (CID 156756658) is 4-bromo-3-iodo-9,9'-spirobi[fluorene].
What is the SMILES notation for 4-bromo-3-iodo-9,9'-spirobi[fluorene]?
The canonical SMILES for 4-bromo-3-iodo-9,9'-spirobi[fluorene] is Brc1c(I)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-bromo-3-iodo-9,9'-spirobi[fluorene]?
The InChIKey is BNTDRJLSWNQLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrI/c26-24-22(27)14-13-21-23(24)17-9-3-6-12-20(17)25(21)18-10-4-1-7-15(18)16-8-2-5-11-19(16)25/h1-14H.
What are the key properties of 4-bromo-3-iodo-9,9'-spirobi[fluorene]?
4-bromo-3-iodo-9,9'-spirobi[fluorene] has a molecular weight of 521.20 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156756658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).