12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]

C37H20ClNO — CID 90270393

About 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]

12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene] (PubChem CID 90270393) has the molecular formula C37H20ClNO and a molecular weight of 530.03 g/mol. Its IUPAC name is 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene].

Molecular Properties

• Compound Name: 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]
• PubChem CID: 90270393
• Molecular Formula: C37H20ClNO
• Molecular Weight: 530.03 g/mol
• Exact Mass: 529.12
• IUPAC Name: 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]
• SMILES: Clc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c4ccccc4oc3c3c4ccccc4n-2c13
• InChI: InChI=1S/C37H20ClNO/c38-21-17-18-32-29(19-21)37(27-13-5-1-9-22(27)23-10-2-6-14-28(23)37)30-20-26-24-11-4-8-16-33(24)40-36(26)34-25-12-3-7-15-31(25)39(32)35(30)34/h1-20H
• InChIKey: WHFUYRPNLDIXAQ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.03
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]?

The IUPAC name of 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene] (CID 90270393) is 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene].

What is the SMILES notation for 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]?

The canonical SMILES for 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene] is Clc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3c4ccccc4oc3c3c4ccccc4n-2c13.

What is the InChIKey of 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]?

The InChIKey is WHFUYRPNLDIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20ClNO/c38-21-17-18-32-29(19-21)37(27-13-5-1-9-22(27)23-10-2-6-14-28(23)37)30-20-26-24-11-4-8-16-33(24)40-36(26)34-25-12-3-7-15-31(25)39(32)35(30)34/h1-20H.

What are the key properties of 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene]?

12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene] has a molecular weight of 530.03 g/mol, XLogP of 10.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-chlorospiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaene-15,9'-fluorene] is sourced from PubChem (CID 90270393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).