5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C30H18N2O — CID 122469178

About 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469178) has the molecular formula C30H18N2O and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122469178
• Molecular Formula: C30H18N2O
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.14
• IUPAC Name: 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: Cc1nc2cccc3c2n1-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1O3
• InChI: InChI=1S/C30H18N2O/c1-17-31-25-10-5-11-27-30(25)32(17)26-15-12-18(16-28(26)33-27)19-13-14-24-21-7-3-2-6-20(21)23-9-4-8-22(19)29(23)24/h2-16H,1H3
• InChIKey: IVGQXZHCKWFQRB-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469178) is 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1nc2cccc3c2n1-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1O3.

What is the InChIKey of 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is IVGQXZHCKWFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O/c1-17-31-25-10-5-11-27-30(25)32(17)26-15-12-18(16-28(26)33-27)19-13-14-24-21-7-3-2-6-20(21)23-9-4-8-22(19)29(23)24/h2-16H,1H3.

What are the key properties of 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 422.49 g/mol, XLogP of 7.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).