2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane

C36H36Br8 — CID 161155514

IUPAC2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
SMILESBrCCCBr.BrCCCC1(CCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.C
InChIInChI=1S/C19H18Br4.C13H8Br2.C3H6Br2.CH4/c20-9-1-7-19(8-2-10-21)17-11-13(22)3-5-15(17)16-6-4-14(23)12-18(16)19;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;4-2-1-3-5;/h3-6,11-12H,1-2,7-10H2;1-4,6-7H,5H2;1-3H2;1H4
InChIKeyUPFYAJBDDNZRTP-UHFFFAOYSA-N
MW1107.92 g/mol
LogP15.41
Rot. Bonds8

About 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane

2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane (PubChem CID 161155514) has the molecular formula C36H36Br8 and a molecular weight of 1107.92 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
PubChem CID161155514
Molecular FormulaC36H36Br8
Molecular Weight1107.92 g/mol
Exact Mass1099.63
IUPAC Name2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
SMILESBrCCCBr.BrCCCC1(CCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.C
InChIInChI=1S/C19H18Br4.C13H8Br2.C3H6Br2.CH4/c20-9-1-7-19(8-2-10-21)17-11-13(22)3-5-15(17)16-6-4-14(23)12-18(16)19;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;4-2-1-3-5;/h3-6,11-12H,1-2,7-10H2;1-4,6-7H,5H2;1-3H2;1H4
InChIKeyUPFYAJBDDNZRTP-UHFFFAOYSA-N
XLogP15.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.92
LogP ≤ 515.41
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

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CID 137443816
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316
2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
CID 171578928
ethyl 6-[2,7-dibromo-9-(6-ethoxy-6-oxohexyl)fluoren-9-yl]hexanoate
CID 122396592
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane?
The IUPAC name of 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane (CID 161155514) is 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane.
What is the SMILES notation for 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane?
The canonical SMILES for 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane is BrCCCBr.BrCCCC1(CCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.C.
What is the InChIKey of 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane?
The InChIKey is UPFYAJBDDNZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br4.C13H8Br2.C3H6Br2.CH4/c20-9-1-7-19(8-2-10-21)17-11-13(22)3-5-15(17)16-6-4-14(23)12-18(16)19;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;4-2-1-3-5;/h3-6,11-12H,1-2,7-10H2;1-4,6-7H,5H2;1-3H2;1H4.
What are the key properties of 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane?
2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane has a molecular weight of 1107.92 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(3-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane is sourced from PubChem (CID 161155514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).