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]

C31H19Br — CID 121391692

IUPAC4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19Br/c32-29-19-9-18-28-30(29)24-14-5-8-17-27(24)31(28)25-15-6-3-12-22(25)20-10-1-2-11-21(20)23-13-4-7-16-26(23)31/h1-19H
InChIKeyXRGTXMZYLZOLRP-UHFFFAOYSA-N
MW471.40 g/mol
LogP8.46
Rot. Bonds

About 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]

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] (PubChem CID 121391692) has the molecular formula C31H19Br and a molecular weight of 471.40 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
PubChem CID121391692
Molecular FormulaC31H19Br
Molecular Weight471.40 g/mol
Exact Mass470.07
IUPAC Name4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19Br/c32-29-19-9-18-28-30(29)24-14-5-8-17-27(24)31(28)25-15-6-3-12-22(25)20-10-1-2-11-21(20)23-13-4-7-16-26(23)31/h1-19H
InChIKeyXRGTXMZYLZOLRP-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
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
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-9,9'-indeno[2,1-b]pyridine]
CID 141481966
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
4-bromo-9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluorene
CID 123797227
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
CID 102532137
CID 102532137

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of 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]?
The InChIKey is XRGTXMZYLZOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Br/c32-29-19-9-18-28-30(29)24-14-5-8-17-27(24)31(28)25-15-6-3-12-22(25)20-10-1-2-11-21(20)23-13-4-7-16-26(23)31/h1-19H.
What are the key properties of 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]?
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] has a molecular weight of 471.40 g/mol, XLogP of 8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 121391692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).