14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C41H27NO — CID 134172494

About 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 134172494) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 134172494
• Molecular Formula: C41H27NO
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.21
• IUPAC Name: 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: Cc1c(C)n2c3c(cccc13)Oc1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1-2
• InChI: InChI=1S/C41H27NO/c1-24-25(2)42-37-21-19-27(23-39(37)43-38-17-9-13-28(24)40(38)42)26-18-20-32-31-12-5-8-16-35(31)41(36(32)22-26)33-14-6-3-10-29(33)30-11-4-7-15-34(30)41/h3-23H,1-2H3
• InChIKey: CXJQTTUTAAVRPG-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 134172494) is 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1c(C)n2c3c(cccc13)Oc1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1-2.

What is the InChIKey of 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is CXJQTTUTAAVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-24-25(2)42-37-21-19-27(23-39(37)43-38-17-9-13-28(24)40(38)42)26-18-20-32-31-12-5-8-16-35(31)41(36(32)22-26)33-14-6-3-10-29(33)30-11-4-7-15-34(30)41/h3-23H,1-2H3.

What are the key properties of 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 549.67 g/mol, XLogP of 10.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,15-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 134172494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).