15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

C34H28N2 — CID 122427008

About 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene

15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (PubChem CID 122427008) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
• PubChem CID: 122427008
• Molecular Formula: C34H28N2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.23
• IUPAC Name: 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
• SMILES: CCc1nc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3c2n1-c1ccccc1C3(C)C
• InChI: InChI=1S/C34H28N2/c1-4-32-35-30-21-27(20-29-33(30)36(32)31-12-8-7-11-28(31)34(29,2)3)24-15-13-23(14-16-24)26-18-17-22-9-5-6-10-25(22)19-26/h5-21H,4H2,1-3H3
• InChIKey: KSUGXOILTOTUNM-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The IUPAC name of 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene (CID 122427008) is 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene.

What is the SMILES notation for 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The canonical SMILES for 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is CCc1nc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3c2n1-c1ccccc1C3(C)C.

What is the InChIKey of 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

The InChIKey is KSUGXOILTOTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-4-32-35-30-21-27(20-29-33(30)36(32)31-12-8-7-11-28(31)34(29,2)3)24-15-13-23(14-16-24)26-18-17-22-9-5-6-10-25(22)19-26/h5-21H,4H2,1-3H3.

What are the key properties of 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene?

15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene has a molecular weight of 464.61 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene is sourced from PubChem (CID 122427008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).