6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine

C71H65N5O3 — CID 159332037

About 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine

6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine (PubChem CID 159332037) has the molecular formula C71H65N5O3 and a molecular weight of 1036.33 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine
• PubChem CID: 159332037
• Molecular Formula: C71H65N5O3
• Molecular Weight: 1036.33 g/mol
• Exact Mass: 1035.51
• IUPAC Name: 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine
• SMILES: Cc1nc2ccc(N(C)C)cc2c(=O)n1C1c2ccccc2CCc2ccccc21.NC1c2ccccc2CCc2ccccc21.O=C1c2ccccc2CCc2ccccc21.ON=C1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C26H25N3O.C15H13NO.C15H15N.C15H12O/c1-17-27-24-15-14-20(28(2)3)16-23(24)26(30)29(17)25-21-10-6-4-8-18(21)12-13-19-9-5-7-11-22(19)25;17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;2*16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h4-11,14-16,25H,12-13H2,1-3H3;1-8,17H,9-10H2;1-8,15H,9-10,16H2;1-8H,9-10H2
• InChIKey: LFBQELUQORXJRN-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 113.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.33
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine?

The IUPAC name of 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine (CID 159332037) is 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine.

What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine?

The canonical SMILES for 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine is Cc1nc2ccc(N(C)C)cc2c(=O)n1C1c2ccccc2CCc2ccccc21.NC1c2ccccc2CCc2ccccc21.O=C1c2ccccc2CCc2ccccc21.ON=C1c2ccccc2CCc2ccccc21.

What is the InChIKey of 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine?

The InChIKey is LFBQELUQORXJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O.C15H13NO.C15H15N.C15H12O/c1-17-27-24-15-14-20(28(2)3)16-23(24)26(30)29(17)25-21-10-6-4-8-18(21)12-13-19-9-5-7-11-22(19)25;17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;2*16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h4-11,14-16,25H,12-13H2,1-3H3;1-8,17H,9-10H2;1-8,15H,9-10,16H2;1-8H,9-10H2.

What are the key properties of 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine?

6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine has a molecular weight of 1036.33 g/mol, XLogP of 13.37, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)quinazolin-4-one;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine is sourced from PubChem (CID 159332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).