1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride

C116H129BClF4N8O3- — CID 161027007

About 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride (PubChem CID 161027007) has the molecular formula C116H129BClF4N8O3- and a molecular weight of 1805.62 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride.

Molecular Properties

• Compound Name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride
• PubChem CID: 161027007
• Molecular Formula: C116H129BClF4N8O3-
• Molecular Weight: 1805.62 g/mol
• Exact Mass: 1803.99
• IUPAC Name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride
• SMILES: CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)Nc1ccc2ccccc2c1-c1c(NC(=O)C(C)(C)C)ccc2ccccc12.CC(C)(C)CN1CN(CC(C)(C)C)c2ccc3ccccc3c2-c2c1ccc1ccccc21.CC(C)(C)CNc1ccc2ccccc2c1-c1c(NCC(C)(C)C)ccc2ccccc12.FB(F)F.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.[F-]
• InChI: InChI=1S/C31H36N2.C30H32N2O2.C30H36N2.C20H16N2.C5H9ClO.BF3.FH/c1-30(2,3)19-32-21-33(20-31(4,5)6)27-18-16-23-12-8-10-14-25(23)29(27)28-24-13-9-7-11-22(24)15-17-26(28)32;1-29(2,3)27(33)31-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)32-28(34)30(4,5)6;1-29(2,3)19-31-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)32-20-30(4,5)6;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-5(2,3)4(6)7;2-1(3)4;/h7-18H,19-21H2,1-6H3;7-18H,1-6H3,(H,31,33)(H,32,34);7-18,31-32H,19-20H2,1-6H3;1-12H,21-22H2;1-3H3;;1H/p-1
• InChIKey: TZCPFAFTHGJGNG-UHFFFAOYSA-M
• XLogP: 29.05
• TPSA: 157.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.62
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride?

The IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride (CID 161027007) is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride.

What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride?

The canonical SMILES for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride is CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)Nc1ccc2ccccc2c1-c1c(NC(=O)C(C)(C)C)ccc2ccccc12.CC(C)(C)CN1CN(CC(C)(C)C)c2ccc3ccccc3c2-c2c1ccc1ccccc21.CC(C)(C)CNc1ccc2ccccc2c1-c1c(NCC(C)(C)C)ccc2ccccc12.FB(F)F.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.[F-].

What is the InChIKey of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride?

The InChIKey is TZCPFAFTHGJGNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H36N2.C30H32N2O2.C30H36N2.C20H16N2.C5H9ClO.BF3.FH/c1-30(2,3)19-32-21-33(20-31(4,5)6)27-18-16-23-12-8-10-14-25(23)29(27)28-24-13-9-7-11-22(24)15-17-26(28)32;1-29(2,3)27(33)31-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)32-28(34)30(4,5)6;1-29(2,3)19-31-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)32-20-30(4,5)6;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-5(2,3)4(6)7;2-1(3)4;/h7-18H,19-21H2,1-6H3;7-18H,1-6H3,(H,31,33)(H,32,34);7-18,31-32H,19-20H2,1-6H3;1-12H,21-22H2;1-3H3;;1H/p-1.

What are the key properties of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride?

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride has a molecular weight of 1805.62 g/mol, XLogP of 29.05, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;12,14-bis(2,2-dimethylpropyl)-12,14-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;N-[1-[2-(2,2-dimethylpropanoylamino)naphthalen-1-yl]naphthalen-2-yl]-2,2-dimethylpropanamide;2,2-dimethylpropanoyl chloride;N-(2,2-dimethylpropyl)-1-[2-(2,2-dimethylpropylamino)naphthalen-1-yl]naphthalen-2-amine;trifluoroborane;fluoride is sourced from PubChem (CID 161027007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).