2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]

C31H17Br — CID 163614779

IUPAC2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]
SMILESBrc1ccc2c(c1)C1(C3=C(c4ccccc41)c1cccc4cccc3c14)c1ccccc1-2
InChIInChI=1S/C31H17Br/c32-19-15-16-21-20-9-1-3-13-25(20)31(27(21)17-19)26-14-4-2-10-22(26)29-23-11-5-7-18-8-6-12-24(28(18)23)30(29)31/h1-17H
InChIKeyHJAUXPVYXNRCMI-UHFFFAOYSA-N
MW469.38 g/mol
LogP8.20
Rot. Bonds

About 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]

2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] (PubChem CID 163614779) has the molecular formula C31H17Br and a molecular weight of 469.38 g/mol. Its IUPAC name is 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene].

Molecular Properties

Compound Name2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]
PubChem CID163614779
Molecular FormulaC31H17Br
Molecular Weight469.38 g/mol
Exact Mass468.05
IUPAC Name2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]
SMILESBrc1ccc2c(c1)C1(C3=C(c4ccccc41)c1cccc4cccc3c14)c1ccccc1-2
InChIInChI=1S/C31H17Br/c32-19-15-16-21-20-9-1-3-13-25(20)31(27(21)17-19)26-14-4-2-10-22(26)29-23-11-5-7-18-8-6-12-24(28(18)23)30(29)31/h1-17H
InChIKeyHJAUXPVYXNRCMI-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] with MolForge

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Related Compounds

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CID 129087141
CID 134272960
CID 134272960
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
9-bromo-7,7-dimethylbenzo[a]phenalene
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10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
CID 134238107
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
11'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 134571729

Frequently Asked Questions

What is the IUPAC name of 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]?
The IUPAC name of 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] (CID 163614779) is 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene].
What is the SMILES notation for 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]?
The canonical SMILES for 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] is Brc1ccc2c(c1)C1(C3=C(c4ccccc41)c1cccc4cccc3c14)c1ccccc1-2.
What is the InChIKey of 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]?
The InChIKey is HJAUXPVYXNRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17Br/c32-19-15-16-21-20-9-1-3-13-25(20)31(27(21)17-19)26-14-4-2-10-22(26)29-23-11-5-7-18-8-6-12-24(28(18)23)30(29)31/h1-17H.
What are the key properties of 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]?
2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] has a molecular weight of 469.38 g/mol, XLogP of 8.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene] is sourced from PubChem (CID 163614779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).