2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane

C27H32Br2O4 — CID 171578928

IUPAC2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
SMILESBrc1ccc2c(c1)C(CCCCC1OCCO1)(CCCCC1OCCO1)c1cc(Br)ccc1-2
InChIInChI=1S/C27H32Br2O4/c28-19-7-9-21-22-10-8-20(29)18-24(22)27(23(21)17-19,11-3-1-5-25-30-13-14-31-25)12-4-2-6-26-32-15-16-33-26/h7-10,17-18,25-26H,1-6,11-16H2
InChIKeyIHKRSKDDERUILZ-UHFFFAOYSA-N
MW580.36 g/mol
LogP7.34
Rot. Bonds10

About 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane

2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane (PubChem CID 171578928) has the molecular formula C27H32Br2O4 and a molecular weight of 580.36 g/mol. Its IUPAC name is 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
PubChem CID171578928
Molecular FormulaC27H32Br2O4
Molecular Weight580.36 g/mol
Exact Mass578.07
IUPAC Name2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane
SMILESBrc1ccc2c(c1)C(CCCCC1OCCO1)(CCCCC1OCCO1)c1cc(Br)ccc1-2
InChIInChI=1S/C27H32Br2O4/c28-19-7-9-21-22-10-8-20(29)18-24(22)27(23(21)17-19,11-3-1-5-25-30-13-14-31-25)12-4-2-6-26-32-15-16-33-26/h7-10,17-18,25-26H,1-6,11-16H2
InChIKeyIHKRSKDDERUILZ-UHFFFAOYSA-N
XLogP7.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.36
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane with MolForge

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Related Compounds

6-[2,7-dibromo-9-(6-hydroxyhexyl)fluoren-9-yl]hexan-1-ol
CID 86231316
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-heptyl-9-hexylfluorene
CID 170123395
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
6-[2,7-dibromo-9-(6-phosphonohexyl)fluoren-9-yl]hexylphosphonic acid
CID 141174107
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
CID 59561089
CID 59561089
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-bromopropyl)fluorene;2,7-dibromo-9H-fluorene;1,3-dibromopropane;methane
CID 161155514
2-bromo-9,9-dihexylfluorene
CID 18674600

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane (CID 171578928) is 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane is Brc1ccc2c(c1)C(CCCCC1OCCO1)(CCCCC1OCCO1)c1cc(Br)ccc1-2.
What is the InChIKey of 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane?
The InChIKey is IHKRSKDDERUILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Br2O4/c28-19-7-9-21-22-10-8-20(29)18-24(22)27(23(21)17-19,11-3-1-5-25-30-13-14-31-25)12-4-2-6-26-32-15-16-33-26/h7-10,17-18,25-26H,1-6,11-16H2.
What are the key properties of 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane?
2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane has a molecular weight of 580.36 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,7-dibromo-9-[4-(1,3-dioxolan-2-yl)butyl]fluoren-9-yl]butyl]-1,3-dioxolane is sourced from PubChem (CID 171578928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).