2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene

C26H12Br4Cl2 — CID 101407207

IUPAC2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene
SMILESClC1(C2(Cl)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H12Br4Cl2/c27-13-1-5-17-18-6-2-14(28)10-22(18)25(31,21(17)9-13)26(32)23-11-15(29)3-7-19(23)20-8-4-16(30)12-24(20)26/h1-12H
InChIKeyOMYZGGFAOVWMAY-UHFFFAOYSA-N
MW714.90 g/mol
LogP10.36
Rot. Bonds1

About 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene

2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene (PubChem CID 101407207) has the molecular formula C26H12Br4Cl2 and a molecular weight of 714.90 g/mol. Its IUPAC name is 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene
PubChem CID101407207
Molecular FormulaC26H12Br4Cl2
Molecular Weight714.90 g/mol
Exact Mass709.70
IUPAC Name2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene
SMILESClC1(C2(Cl)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C26H12Br4Cl2/c27-13-1-5-17-18-6-2-14(28)10-22(18)25(31,21(17)9-13)26(32)23-11-15(29)3-7-19(23)20-8-4-16(30)12-24(20)26/h1-12H
InChIKeyOMYZGGFAOVWMAY-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.90
LogP ≤ 510.36
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',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4,11-dibromopentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
CID 22278002
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
CID 158874944
2,7-dibromo-9-propan-2-ylfluoren-9-ol
CID 90251222
2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
CID 22340866
2,7-dibromo-9,9-bis(prop-2-ynyl)fluorene
CID 102052845
3,3,5-tribromo-2H-inden-1-one
CID 164519689
3,6-dibromo-10,10-bis(trifluoromethyl)anthracen-9-one
CID 178176795
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene?
The IUPAC name of 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene (CID 101407207) is 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene.
What is the SMILES notation for 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene?
The canonical SMILES for 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene is ClC1(C2(Cl)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene?
The InChIKey is OMYZGGFAOVWMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12Br4Cl2/c27-13-1-5-17-18-6-2-14(28)10-22(18)25(31,21(17)9-13)26(32)23-11-15(29)3-7-19(23)20-8-4-16(30)12-24(20)26/h1-12H.
What are the key properties of 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene?
2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene has a molecular weight of 714.90 g/mol, XLogP of 10.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene is sourced from PubChem (CID 101407207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).