2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]

C31H18Br2 — CID 168791383

IUPAC2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc(-c3ccccc3)c(Br)cc21
InChIInChI=1S/C31H18Br2/c32-20-14-15-23-21-10-4-6-12-26(21)31(28(23)16-20)27-13-7-5-11-22(27)25-17-24(30(33)18-29(25)31)19-8-2-1-3-9-19/h1-18H
InChIKeyKENDABMXAPBNDF-UHFFFAOYSA-N
MW550.29 g/mol
LogP9.22
Rot. Bonds1

About 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]

2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene] (PubChem CID 168791383) has the molecular formula C31H18Br2 and a molecular weight of 550.29 g/mol. Its IUPAC name is 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
PubChem CID168791383
Molecular FormulaC31H18Br2
Molecular Weight550.29 g/mol
Exact Mass547.98
IUPAC Name2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc(-c3ccccc3)c(Br)cc21
InChIInChI=1S/C31H18Br2/c32-20-14-15-23-21-10-4-6-12-26(21)31(28(23)16-20)27-13-7-5-11-22(27)25-17-24(30(33)18-29(25)31)19-8-2-1-3-9-19/h1-18H
InChIKeyKENDABMXAPBNDF-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.29
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
CID 121482268
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
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
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
CID 163822943
CID 163822943
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820

Frequently Asked Questions

What is the IUPAC name of 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene] (CID 168791383) is 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cc(-c3ccccc3)c(Br)cc21.
What is the InChIKey of 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]?
The InChIKey is KENDABMXAPBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18Br2/c32-20-14-15-23-21-10-4-6-12-26(21)31(28(23)16-20)27-13-7-5-11-22(27)25-17-24(30(33)18-29(25)31)19-8-2-1-3-9-19/h1-18H.
What are the key properties of 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]?
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene] has a molecular weight of 550.29 g/mol, XLogP of 9.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 168791383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).