bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine

C44H39Br5 — CID 159345620

IUPACbromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
SMILESBrBr.CBr.CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H12Br2.C15H14.C13H10.CH3Br.Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-8H,1-2H3;3-10H,1-2H3;1-8H,9H2;1H3;
InChIKeyLGRNDWFIAUJNOI-UHFFFAOYSA-N
MW967.32 g/mol
LogP15.47
Rot. Bonds

About bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine

bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine (PubChem CID 159345620) has the molecular formula C44H39Br5 and a molecular weight of 967.32 g/mol. Its IUPAC name is bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine.

Molecular Properties

Compound Namebromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
PubChem CID159345620
Molecular FormulaC44H39Br5
Molecular Weight967.32 g/mol
Exact Mass961.90
IUPAC Namebromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
SMILESBrBr.CBr.CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C15H12Br2.C15H14.C13H10.CH3Br.Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-8H,1-2H3;3-10H,1-2H3;1-8H,9H2;1H3;
InChIKeyLGRNDWFIAUJNOI-UHFFFAOYSA-N
XLogP15.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.32
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
7-bromo-14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175542
2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;9H-fluoren-3-ylboronic acid;bis(2-(9H-fluoren-3-yl)-9-phenylcarbazole)
CID 158945415
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589

Frequently Asked Questions

What is the IUPAC name of bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine?
The IUPAC name of bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine (CID 159345620) is bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine.
What is the SMILES notation for bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine?
The canonical SMILES for bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine is BrBr.CBr.CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine?
The InChIKey is LGRNDWFIAUJNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2.C15H14.C13H10.CH3Br.Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2/h3-8H,1-2H3;3-10H,1-2H3;1-8H,9H2;1H3;.
What are the key properties of bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine?
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine has a molecular weight of 967.32 g/mol, XLogP of 15.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine is sourced from PubChem (CID 159345620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).