2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]

C35H21Br — CID 134216060

IUPAC2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C35H21Br/c36-25-17-13-22(14-18-25)24-16-19-29-27-9-3-5-11-31(27)35(33(29)21-24)32-12-6-4-10-28(32)30-20-15-23-7-1-2-8-26(23)34(30)35/h1-21H
InChIKeyRHUTWXOWOWEUBQ-UHFFFAOYSA-N
MW521.46 g/mol
LogP9.61
Rot. Bonds1

About 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]

2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 134216060) has the molecular formula C35H21Br and a molecular weight of 521.46 g/mol. Its IUPAC name is 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID134216060
Molecular FormulaC35H21Br
Molecular Weight521.46 g/mol
Exact Mass520.08
IUPAC Name2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C35H21Br/c36-25-17-13-22(14-18-25)24-16-19-29-27-9-3-5-11-31(27)35(33(29)21-24)32-12-6-4-10-28(32)30-20-15-23-7-1-2-8-26(23)34(30)35/h1-21H
InChIKeyRHUTWXOWOWEUBQ-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

7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
3-bromo-7-(11,11'-spirobi[benzo[a]fluorene]-3'-yl)dibenzothiophene
CID 159086576
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
12-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126941
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034505

Frequently Asked Questions

What is the IUPAC name of 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene] (CID 134216060) is 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene] is Brc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)cc1.
What is the InChIKey of 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is RHUTWXOWOWEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21Br/c36-25-17-13-22(14-18-25)24-16-19-29-27-9-3-5-11-31(27)35(33(29)21-24)32-12-6-4-10-28(32)30-20-15-23-7-1-2-8-26(23)34(30)35/h1-21H.
What are the key properties of 2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]?
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-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'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 134216060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).