2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide

C132H87Br4N13O16 — CID 158851633

About 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide

2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide (PubChem CID 158851633) has the molecular formula C132H87Br4N13O16 and a molecular weight of 2430.84 g/mol. Its IUPAC name is 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide.

Molecular Properties

• Compound Name: 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide
• PubChem CID: 158851633
• Molecular Formula: C132H87Br4N13O16
• Molecular Weight: 2430.84 g/mol
• Exact Mass: 2425.31
• IUPAC Name: 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide
• SMILES: BrCc1ccc2ccccc2c1.BrCc1cnc2ccccc2n1.O=C1c2c(c(O)c3ccccc3c2O)C(=O)c2c1n(Cc1cnc3ccccc3n1)c[n+]2Cc1ccc2ccccc2c1.O=C1c2c(c(O)c3ccccc3c2O)C(=O)c2c1n(Cc1cnc3ccccc3n1)c[n+]2Cc1ccc2ccccc2c1.O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC=N3.O=C1c2ncn(Cc3ccc4ccccc4c3)c2C(=O)c2c1c(O)c1ccccc1c2O.[Br-].[Br-]
• InChI: InChI=1S/2C35H22N4O4.C26H16N2O4.C16H9NO4.C11H9Br.C9H7BrN2.2BrH/c2*40-32-24-9-3-4-10-25(24)33(41)29-28(32)34(42)30-31(35(29)43)39(18-23-16-36-26-11-5-6-12-27(26)37-23)19-38(30)17-20-13-14-21-7-1-2-8-22(21)15-20;29-23-17-7-3-4-8-18(17)24(30)20-19(23)25(31)21-22(26(20)32)28(13-27-21)12-14-9-10-15-5-1-2-6-16(15)11-14;18-13-7-3-1-2-4-8(7)14(19)11-10(13)15(20)9-5-6-17-12(9)16(11)21;12-8-9-5-6-10-3-1-2-4-11(10)7-9;10-5-7-6-11-8-3-1-2-4-9(8)12-7;;/h2*1-16,19H,17-18H2,(H-,36,37,40,41,42,43);1-11,13,29-30H,12H2;1-4,6,20-21H,5H2;1-7H,8H2;1-4,6H,5H2;2*1H
• InChIKey: OPOVAACINZEDJQ-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 423.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2430.84
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide?

The IUPAC name of 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide (CID 158851633) is 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide.

What is the SMILES notation for 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide?

The canonical SMILES for 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide is BrCc1ccc2ccccc2c1.BrCc1cnc2ccccc2n1.O=C1c2c(c(O)c3ccccc3c2O)C(=O)c2c1n(Cc1cnc3ccccc3n1)c[n+]2Cc1ccc2ccccc2c1.O=C1c2c(c(O)c3ccccc3c2O)C(=O)c2c1n(Cc1cnc3ccccc3n1)c[n+]2Cc1ccc2ccccc2c1.O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC=N3.O=C1c2ncn(Cc3ccc4ccccc4c3)c2C(=O)c2c1c(O)c1ccccc1c2O.[Br-].[Br-].

What is the InChIKey of 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide?

The InChIKey is OPOVAACINZEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H22N4O4.C26H16N2O4.C16H9NO4.C11H9Br.C9H7BrN2.2BrH/c2*40-32-24-9-3-4-10-25(24)33(41)29-28(32)34(42)30-31(35(29)43)39(18-23-16-36-26-11-5-6-12-27(26)37-23)19-38(30)17-20-13-14-21-7-1-2-8-22(21)15-20;29-23-17-7-3-4-8-18(17)24(30)20-19(23)25(31)21-22(26(20)32)28(13-27-21)12-14-9-10-15-5-1-2-6-16(15)11-14;18-13-7-3-1-2-4-8(7)14(19)11-10(13)15(20)9-5-6-17-12(9)16(11)21;12-8-9-5-6-10-3-1-2-4-11(10)7-9;10-5-7-6-11-8-3-1-2-4-9(8)12-7;;/h2*1-16,19H,17-18H2,(H-,36,37,40,41,42,43);1-11,13,29-30H,12H2;1-4,6,20-21H,5H2;1-7H,8H2;1-4,6H,5H2;2*1H.

What are the key properties of 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide?

2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide has a molecular weight of 2430.84 g/mol, XLogP of 17.44, 12 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)naphthalene;2-(bromomethyl)quinoxaline;5,10-dihydroxy-3-(naphthalen-2-ylmethyl)naphtho[2,3-f]benzimidazole-4,11-dione;bis(5,10-dihydroxy-3-(naphthalen-2-ylmethyl)-1-(quinoxalin-2-ylmethyl)naphtho[2,3-f]benzimidazol-3-ium-4,11-dione);4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione;dibromide is sourced from PubChem (CID 158851633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).