1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]

C50H31Br3O — CID 158426402

IUPAC1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
SMILESBrc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Brc1ccccc1-c1ccccc1.O=C1c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C25H15Br.C13H7BrO.C12H9Br/c26-23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25;14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-15H;1-7H;1-9H
InChIKeyHBCHTLYQGWKBOH-UHFFFAOYSA-N
MW887.51 g/mol
LogP14.57
Rot. Bonds1

About 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]

1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene] (PubChem CID 158426402) has the molecular formula C50H31Br3O and a molecular weight of 887.51 g/mol. Its IUPAC name is 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
PubChem CID158426402
Molecular FormulaC50H31Br3O
Molecular Weight887.51 g/mol
Exact Mass883.99
IUPAC Name1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
SMILESBrc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Brc1ccccc1-c1ccccc1.O=C1c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C25H15Br.C13H7BrO.C12H9Br/c26-23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25;14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-15H;1-7H;1-9H
InChIKeyHBCHTLYQGWKBOH-UHFFFAOYSA-N
XLogP14.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.51
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759
1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane
CID 167608392
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
trilithium;1-bromofluoren-9-one;1-bromo-9-(2-phenylphenyl)fluoren-9-ide;1-bromo-9,9'-spirobi[fluorene];N,N-dimethyl-9,9'-spirobi[fluorene]-1-amine;fluoren-9-one;1-methyl-2-phenylbenzene;phenylbenzene;9-(2-phenylphenyl)fluoren-9-ide;dihydroxide
CID 157183173
1-(2-chloro-4,5-diphenylphenyl)fluoren-9-one
CID 130380056
1-bromo-2-phenylbenzene;ethane;hydron;14-(2-phenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol;spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene];tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one
CID 161247327
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851
2,3-diphenylfluoren-9-one
CID 102493574
1-[2-(4-chlorophenyl)phenyl]fluoren-9-one
CID 130380105
1-bromo-7-chlorofluoren-9-one
CID 132938805
1'-bromospiro[fluorene-9,9'-thioxanthene]
CID 175709351
1,8-diphenylanthracene-9,10-dione
CID 12637584

Frequently Asked Questions

What is the IUPAC name of 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]?
The IUPAC name of 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene] (CID 158426402) is 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene] is Brc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Brc1ccccc1-c1ccccc1.O=C1c2ccccc2-c2cccc(Br)c21.
What is the InChIKey of 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]?
The InChIKey is HBCHTLYQGWKBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Br.C13H7BrO.C12H9Br/c26-23-15-7-11-19-18-10-3-6-14-22(18)25(24(19)23)20-12-4-1-8-16(20)17-9-2-5-13-21(17)25;14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-15H;1-7H;1-9H.
What are the key properties of 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]?
1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene] has a molecular weight of 887.51 g/mol, XLogP of 14.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene] is sourced from PubChem (CID 158426402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).