2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene

C34H18Br2F6 — CID 11445435

IUPAC2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene
SMILESFc1cc(-c2cc3ccccc3c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)cc4ccccc34)c2CBr)cc(F)c1F
InChIInChI=1S/C34H18Br2F6/c35-15-25-23(19-11-27(37)33(41)28(38)12-19)9-17-5-1-3-7-21(17)31(25)32-22-8-4-2-6-18(22)10-24(26(32)16-36)20-13-29(39)34(42)30(40)14-20/h1-14H,15-16H2
InChIKeyBVAMBWKGQOVWNB-UHFFFAOYSA-N
MW700.31 g/mol
LogP11.62
Rot. Bonds5

About 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene

2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene (PubChem CID 11445435) has the molecular formula C34H18Br2F6 and a molecular weight of 700.31 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene
PubChem CID11445435
Molecular FormulaC34H18Br2F6
Molecular Weight700.31 g/mol
Exact Mass697.97
IUPAC Name2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene
SMILESFc1cc(-c2cc3ccccc3c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)cc4ccccc34)c2CBr)cc(F)c1F
InChIInChI=1S/C34H18Br2F6/c35-15-25-23(19-11-27(37)33(41)28(38)12-19)9-17-5-1-3-7-21(17)31(25)32-22-8-4-2-6-18(22)10-24(26(32)16-36)20-13-29(39)34(42)30(40)14-20/h1-14H,15-16H2
InChIKeyBVAMBWKGQOVWNB-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.31
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene?
The IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene (CID 11445435) is 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene.
What is the SMILES notation for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene?
The canonical SMILES for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene is Fc1cc(-c2cc3ccccc3c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)cc4ccccc34)c2CBr)cc(F)c1F.
What is the InChIKey of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene?
The InChIKey is BVAMBWKGQOVWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18Br2F6/c35-15-25-23(19-11-27(37)33(41)28(38)12-19)9-17-5-1-3-7-21(17)31(25)32-22-8-4-2-6-18(22)10-24(26(32)16-36)20-13-29(39)34(42)30(40)14-20/h1-14H,15-16H2.
What are the key properties of 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene?
2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene has a molecular weight of 700.31 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-(bromomethyl)-3-(3,4,5-trifluorophenyl)naphthalen-1-yl]-3-(3,4,5-trifluorophenyl)naphthalene is sourced from PubChem (CID 11445435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).