10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide

C38H26N2O2S — CID 140938168

About 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide

10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide (PubChem CID 140938168) has the molecular formula C38H26N2O2S and a molecular weight of 574.71 g/mol. Its IUPAC name is 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide.

Molecular Properties

• Compound Name: 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide
• PubChem CID: 140938168
• Molecular Formula: C38H26N2O2S
• Molecular Weight: 574.71 g/mol
• Exact Mass: 574.17
• IUPAC Name: 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide
• SMILES: Cn1c2ccccc2c2cc3c(cc21)C1(c2ccccc2N(c2ccccc2)c2ccccc21)c1ccccc1S3(=O)=O
• InChI: InChI=1S/C38H26N2O2S/c1-39-32-19-9-5-15-26(32)27-23-37-31(24-35(27)39)38(30-18-8-12-22-36(30)43(37,41)42)28-16-6-10-20-33(28)40(25-13-3-2-4-14-25)34-21-11-7-17-29(34)38/h2-24H,1H3
• InChIKey: WNFJSFDMYHEHOI-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 42.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.71
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide?

The IUPAC name of 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide (CID 140938168) is 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide.

What is the SMILES notation for 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide?

The canonical SMILES for 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide is Cn1c2ccccc2c2cc3c(cc21)C1(c2ccccc2N(c2ccccc2)c2ccccc21)c1ccccc1S3(=O)=O.

What is the InChIKey of 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide?

The InChIKey is WNFJSFDMYHEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O2S/c1-39-32-19-9-5-15-26(32)27-23-37-31(24-35(27)39)38(30-18-8-12-22-36(30)43(37,41)42)28-16-6-10-20-33(28)40(25-13-3-2-4-14-25)34-21-11-7-17-29(34)38/h2-24H,1H3.

What are the key properties of 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide?

10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide has a molecular weight of 574.71 g/mol, XLogP of 8.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide is sourced from PubChem (CID 140938168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).