2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene

C43H33Br — CID 118245876

IUPAC2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C3(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccc(Br)cc43)cc21
InChIInChI=1S/C43H33Br/c1-41(2)35-14-8-5-11-29(35)32-20-17-26(23-38(32)41)43(37-16-10-7-13-31(37)34-22-19-28(44)25-40(34)43)27-18-21-33-30-12-6-9-15-36(30)42(3,4)39(33)24-27/h5-25H,1-4H3
InChIKeyRYATZTIPVPKCAB-UHFFFAOYSA-N
MW629.64 g/mol
LogP11.42
Rot. Bonds2

About 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene

2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene (PubChem CID 118245876) has the molecular formula C43H33Br and a molecular weight of 629.64 g/mol. Its IUPAC name is 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
PubChem CID118245876
Molecular FormulaC43H33Br
Molecular Weight629.64 g/mol
Exact Mass628.18
IUPAC Name2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C3(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccc(Br)cc43)cc21
InChIInChI=1S/C43H33Br/c1-41(2)35-14-8-5-11-29(35)32-20-17-26(23-38(32)41)43(37-16-10-7-13-31(37)34-22-19-28(44)25-40(34)43)27-18-21-33-30-12-6-9-15-36(30)42(3,4)39(33)24-27/h5-25H,1-4H3
InChIKeyRYATZTIPVPKCAB-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.64
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
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-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
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-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
CID 145144830
9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene (CID 118245876) is 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene is CC1(C)c2ccccc2-c2ccc(C3(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccc(Br)cc43)cc21.
What is the InChIKey of 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene?
The InChIKey is RYATZTIPVPKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33Br/c1-41(2)35-14-8-5-11-29(35)32-20-17-26(23-38(32)41)43(37-16-10-7-13-31(37)34-22-19-28(44)25-40(34)43)27-18-21-33-30-12-6-9-15-36(30)42(3,4)39(33)24-27/h5-25H,1-4H3.
What are the key properties of 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene?
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene has a molecular weight of 629.64 g/mol, XLogP of 11.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene is sourced from PubChem (CID 118245876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).