10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]

C29H27NO — CID 176812453

About 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]

10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane] (PubChem CID 176812453) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane].

Molecular Properties

• Compound Name: 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]
• PubChem CID: 176812453
• Molecular Formula: C29H27NO
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.21
• IUPAC Name: 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]
• SMILES: Cc1c2c(cc3ccccc13)-c1nccc3cc4c(c(c13)O2)C(C)(C)CC41CCCC1
• InChI: InChI=1S/C29H27NO/c1-17-20-9-5-4-8-18(20)14-21-25-23-19(10-13-30-25)15-22-24(27(23)31-26(17)21)28(2,3)16-29(22)11-6-7-12-29/h4-5,8-10,13-15H,6-7,11-12,16H2,1-3H3
• InChIKey: LRGCWUIIBXGBQP-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]?

The IUPAC name of 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane] (CID 176812453) is 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane].

What is the SMILES notation for 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]?

The canonical SMILES for 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane] is Cc1c2c(cc3ccccc13)-c1nccc3cc4c(c(c13)O2)C(C)(C)CC41CCCC1.

What is the InChIKey of 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]?

The InChIKey is LRGCWUIIBXGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-17-20-9-5-4-8-18(20)14-21-25-23-19(10-13-30-25)15-22-24(27(23)31-26(17)21)28(2,3)16-29(22)11-6-7-12-29/h4-5,8-10,13-15H,6-7,11-12,16H2,1-3H3.

What are the key properties of 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]?

10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane] has a molecular weight of 405.54 g/mol, XLogP of 7.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane] is sourced from PubChem (CID 176812453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).