2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]

C35H21Br — CID 142725067

IUPAC2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
SMILESBrc1cccc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc12
InChIInChI=1S/C35H21Br/c36-34-18-8-13-24-23(12-7-14-29(24)34)22-19-20-28-27-11-3-6-17-32(27)35(33(28)21-22)30-15-4-1-9-25(30)26-10-2-5-16-31(26)35/h1-21H
InChIKeyWJQFMYXGKKBVII-UHFFFAOYSA-N
MW521.46 g/mol
LogP9.61
Rot. Bonds1

About 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]

2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene] (PubChem CID 142725067) has the molecular formula C35H21Br and a molecular weight of 521.46 g/mol. Its IUPAC name is 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
PubChem CID142725067
Molecular FormulaC35H21Br
Molecular Weight521.46 g/mol
Exact Mass520.08
IUPAC Name2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
SMILESBrc1cccc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc12
InChIInChI=1S/C35H21Br/c36-34-18-8-13-24-23(12-7-14-29(24)34)22-19-20-28-27-11-3-6-17-32(27)35(33(28)21-22)30-15-4-1-9-25(30)26-10-2-5-16-31(26)35/h1-21H
InChIKeyWJQFMYXGKKBVII-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.46
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-naphthalen-1-ylspiro[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 140873354
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170013597
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene] (CID 142725067) is 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene] is Brc1cccc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc12.
What is the InChIKey of 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The InChIKey is WJQFMYXGKKBVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21Br/c36-34-18-8-13-24-23(12-7-14-29(24)34)22-19-20-28-27-11-3-6-17-32(27)35(33(28)21-22)30-15-4-1-9-25(30)26-10-2-5-16-31(26)35/h1-21H.
What are the key properties of 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]?
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene] has a molecular weight of 521.46 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142725067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).