8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline

C44H25N — CID 166026095

About 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline

8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline (PubChem CID 166026095) has the molecular formula C44H25N and a molecular weight of 567.69 g/mol. Its IUPAC name is 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline.

Molecular Properties

• Compound Name: 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline
• PubChem CID: 166026095
• Molecular Formula: C44H25N
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.20
• IUPAC Name: 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc1c(c2-c2cccc3cccnc23)-c2cccc3cccc-1c23
• InChI: InChI=1S/C44H25N/c1-4-21-35-28(15-1)29-16-2-5-22-36(29)44(35)37-23-6-3-17-31(37)41-38(44)25-34-30-18-7-11-26-12-8-19-32(39(26)30)40(34)42(41)33-20-9-13-27-14-10-24-45-43(27)33/h1-25H
• InChIKey: SSCUSFRWSBZPGR-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline?

The IUPAC name of 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline (CID 166026095) is 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline.

What is the SMILES notation for 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline?

The canonical SMILES for 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc1c(c2-c2cccc3cccnc23)-c2cccc3cccc-1c23.

What is the InChIKey of 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline?

The InChIKey is SSCUSFRWSBZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N/c1-4-21-35-28(15-1)29-16-2-5-22-36(29)44(35)37-23-6-3-17-31(37)41-38(44)25-34-30-18-7-11-26-12-8-19-32(39(26)30)40(34)42(41)33-20-9-13-27-14-10-24-45-43(27)33/h1-25H.

What are the key properties of 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline?

8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline has a molecular weight of 567.69 g/mol, XLogP of 11.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline is sourced from PubChem (CID 166026095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).