3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene

C57H42Br6 — CID 158333751

IUPAC3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2cc(Br)c3ccccc3c21.CC1(C)c2cc(Br)ccc2-c2cc3ccc(Br)cc3cc21.CC1(C)c2cc(Br)ccc2-c2ccc3cc(Br)ccc3c21
InChIInChI=1S/3C19H14Br2/c1-19(2)17-10-13(21)5-8-15(17)16-6-3-11-9-12(20)4-7-14(11)18(16)19;1-19(2)17-9-12-7-13(20)4-3-11(12)8-16(17)15-6-5-14(21)10-18(15)19;1-19(2)16-9-11(20)7-8-12(16)15-10-17(21)13-5-3-4-6-14(13)18(15)19/h3*3-10H,1-2H3
InChIKeyGQIFGNRZKYYJFE-UHFFFAOYSA-N
MW1206.39 g/mol
LogP20.01
Rot. Bonds

About 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene

3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene (PubChem CID 158333751) has the molecular formula C57H42Br6 and a molecular weight of 1206.39 g/mol. Its IUPAC name is 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene.

Molecular Properties

Compound Name3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene
PubChem CID158333751
Molecular FormulaC57H42Br6
Molecular Weight1206.39 g/mol
Exact Mass1199.84
IUPAC Name3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2cc(Br)c3ccccc3c21.CC1(C)c2cc(Br)ccc2-c2cc3ccc(Br)cc3cc21.CC1(C)c2cc(Br)ccc2-c2ccc3cc(Br)ccc3c21
InChIInChI=1S/3C19H14Br2/c1-19(2)17-10-13(21)5-8-15(17)16-6-3-11-9-12(20)4-7-14(11)18(16)19;1-19(2)17-9-12-7-13(20)4-3-11(12)8-16(17)15-6-5-14(21)10-18(15)19;1-19(2)16-9-11(20)7-8-12(16)15-10-17(21)13-5-3-4-6-14(13)18(15)19/h3*3-10H,1-2H3
InChIKeyGQIFGNRZKYYJFE-UHFFFAOYSA-N
XLogP20.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.39
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene with MolForge

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Related Compounds

11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290147
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;ethane
CID 91293060
10-bromo-13,13-dimethyl-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19,21,23(30),24,26,28-tetradecaene
CID 134276249
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;ethane
CID 158558061
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 159108274
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
12,12-dimethyl-7-N,17-N-bis(6-methyldibenzofuran-4-yl)-7-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,17-diamine
CID 90140416
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960

Frequently Asked Questions

What is the IUPAC name of 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene?
The IUPAC name of 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene (CID 158333751) is 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene.
What is the SMILES notation for 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene?
The canonical SMILES for 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene is CC1(C)c2cc(Br)ccc2-c2cc(Br)c3ccccc3c21.CC1(C)c2cc(Br)ccc2-c2cc3ccc(Br)cc3cc21.CC1(C)c2cc(Br)ccc2-c2ccc3cc(Br)ccc3c21.
What is the InChIKey of 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene?
The InChIKey is GQIFGNRZKYYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H14Br2/c1-19(2)17-10-13(21)5-8-15(17)16-6-3-11-9-12(20)4-7-14(11)18(16)19;1-19(2)17-9-12-7-13(20)4-3-11(12)8-16(17)15-6-5-14(21)10-18(15)19;1-19(2)16-9-11(20)7-8-12(16)15-10-17(21)13-5-3-4-6-14(13)18(15)19/h3*3-10H,1-2H3.
What are the key properties of 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene?
3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene has a molecular weight of 1206.39 g/mol, XLogP of 20.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene is sourced from PubChem (CID 158333751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).