1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene

C92H77Br4Cl10N10+3 — CID 162267616

About 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene

1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene (PubChem CID 162267616) has the molecular formula C92H77Br4Cl10N10+3 and a molecular weight of 1996.84 g/mol. Its IUPAC name is 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene.

Molecular Properties

• Compound Name: 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene
• PubChem CID: 162267616
• Molecular Formula: C92H77Br4Cl10N10+3
• Molecular Weight: 1996.84 g/mol
• Exact Mass: 1986.99
• IUPAC Name: 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene
• SMILES: BrCCc1cccc2ccccc12.BrCc1cc(CBr)cc(CBr)c1.Clc1c(Cl)[n+](Cc2cc(C[n+]3cn(CCc4cccc5ccccc45)c(Cl)c3Cl)cc(C[n+]3cn(Cc4cccc5ccccc45)c(Cl)c3Cl)c2)cn1CCc1cccc2ccccc12.Clc1nc[nH]c1Cl.Clc1ncn(CCc2cccc3ccccc23)c1Cl
• InChI: InChI=1S/C53H43Cl6N6.C15H12Cl2N2.C12H11Br.C9H9Br3.C3H2Cl2N2/c54-48-50(56)62(33-60(48)24-22-42-16-7-13-39-10-1-4-19-45(39)42)29-36-26-37(30-63-34-61(49(55)51(63)57)25-23-43-17-8-14-40-11-2-5-20-46(40)43)28-38(27-36)31-64-35-65(53(59)52(64)58)32-44-18-9-15-41-12-3-6-21-47(41)44;16-14-15(17)19(10-18-14)9-8-12-6-3-5-11-4-1-2-7-13(11)12;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;10-4-7-1-8(5-11)3-9(2-7)6-12;4-2-3(5)7-1-6-2/h1-21,26-28,33-35H,22-25,29-32H2;1-7,10H,8-9H2;1-7H,8-9H2;1-3H,4-6H2;1H,(H,6,7)/q+3
• InChIKey: CQXANSRPWDIZHX-UHFFFAOYSA-N
• XLogP: 27.46
• TPSA: 72.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1996.84
LogP ≤ 5	27.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene?

The IUPAC name of 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene (CID 162267616) is 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene.

What is the SMILES notation for 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene?

The canonical SMILES for 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene is BrCCc1cccc2ccccc12.BrCc1cc(CBr)cc(CBr)c1.Clc1c(Cl)[n+](Cc2cc(C[n+]3cn(CCc4cccc5ccccc45)c(Cl)c3Cl)cc(C[n+]3cn(Cc4cccc5ccccc45)c(Cl)c3Cl)c2)cn1CCc1cccc2ccccc12.Clc1nc[nH]c1Cl.Clc1ncn(CCc2cccc3ccccc23)c1Cl.

What is the InChIKey of 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene?

The InChIKey is CQXANSRPWDIZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43Cl6N6.C15H12Cl2N2.C12H11Br.C9H9Br3.C3H2Cl2N2/c54-48-50(56)62(33-60(48)24-22-42-16-7-13-39-10-1-4-19-45(39)42)29-36-26-37(30-63-34-61(49(55)51(63)57)25-23-43-17-8-14-40-11-2-5-20-46(40)43)28-38(27-36)31-64-35-65(53(59)52(64)58)32-44-18-9-15-41-12-3-6-21-47(41)44;16-14-15(17)19(10-18-14)9-8-12-6-3-5-11-4-1-2-7-13(11)12;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;10-4-7-1-8(5-11)3-9(2-7)6-12;4-2-3(5)7-1-6-2/h1-21,26-28,33-35H,22-25,29-32H2;1-7,10H,8-9H2;1-7H,8-9H2;1-3H,4-6H2;1H,(H,6,7)/q+3;;;;.

What are the key properties of 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene?

1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene has a molecular weight of 1996.84 g/mol, XLogP of 27.46, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromoethyl)naphthalene;4,5-dichloro-1-[[3-[[4,5-dichloro-3-(2-naphthalen-1-ylethyl)imidazol-1-ium-1-yl]methyl]-5-[[4,5-dichloro-3-(naphthalen-1-ylmethyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-(2-naphthalen-1-ylethyl)imidazol-1-ium;4,5-dichloro-1H-imidazole;4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole;1,3,5-tris(bromomethyl)benzene is sourced from PubChem (CID 162267616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).