2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene

C32H32Br6 — CID 137443816

IUPAC2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
SMILESBrCCCC1(CCCBr)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCCBr)CCCBr
InChIInChI=1S/C32H32Br6/c33-13-1-9-31(10-2-14-34)27-17-21(37)5-7-23(27)25-20-30-26(19-29(25)31)24-8-6-22(38)18-28(24)32(30,11-3-15-35)12-4-16-36/h5-8,17-20H,1-4,9-16H2
InChIKeySACOTOXLWAWUKS-UHFFFAOYSA-N
MW896.03 g/mol
LogP12.44
Rot. Bonds12

About 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene

2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene (PubChem CID 137443816) has the molecular formula C32H32Br6 and a molecular weight of 896.03 g/mol. Its IUPAC name is 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
PubChem CID137443816
Molecular FormulaC32H32Br6
Molecular Weight896.03 g/mol
Exact Mass889.76
IUPAC Name2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
SMILESBrCCCC1(CCCBr)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCCBr)CCCBr
InChIInChI=1S/C32H32Br6/c33-13-1-9-31(10-2-14-34)27-17-21(37)5-7-23(27)25-20-30-26(19-29(25)31)24-8-6-22(38)18-28(24)32(30,11-3-15-35)12-4-16-36/h5-8,17-20H,1-4,9-16H2
InChIKeySACOTOXLWAWUKS-UHFFFAOYSA-N
XLogP12.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.03
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene?
The IUPAC name of 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene (CID 137443816) is 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene?
The canonical SMILES for 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene is BrCCCC1(CCCBr)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCCBr)CCCBr.
What is the InChIKey of 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene?
The InChIKey is SACOTOXLWAWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32Br6/c33-13-1-9-31(10-2-14-34)27-17-21(37)5-7-23(27)25-20-30-26(19-29(25)31)24-8-6-22(38)18-28(24)32(30,11-3-15-35)12-4-16-36/h5-8,17-20H,1-4,9-16H2.
What are the key properties of 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene?
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene has a molecular weight of 896.03 g/mol, XLogP of 12.44, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 137443816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).