5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine

C44H30N4O2 — CID 59146950

About 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine

5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine (PubChem CID 59146950) has the molecular formula C44H30N4O2 and a molecular weight of 646.75 g/mol. Its IUPAC name is 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine.

Molecular Properties

• Compound Name: 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
• PubChem CID: 59146950
• Molecular Formula: C44H30N4O2
• Molecular Weight: 646.75 g/mol
• Exact Mass: 646.24
• IUPAC Name: 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
• SMILES: CN1c2ccccc2N(c2ccc3oc4cc5c(cc4c3c2)oc2ccc(N3c4ccccc4N(C)c4ccccc43)cc25)c2ccccc21
• InChI: InChI=1S/C44H30N4O2/c1-45-33-11-3-7-15-37(33)47(38-16-8-4-12-34(38)45)27-19-21-41-29(23-27)31-25-44-32(26-43(31)49-41)30-24-28(20-22-42(30)50-44)48-39-17-9-5-13-35(39)46(2)36-14-6-10-18-40(36)48/h3-26H,1-2H3
• InChIKey: PSGLWKUDIQZZGW-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.75
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine?

The IUPAC name of 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine (CID 59146950) is 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine.

What is the SMILES notation for 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine?

The canonical SMILES for 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine is CN1c2ccccc2N(c2ccc3oc4cc5c(cc4c3c2)oc2ccc(N3c4ccccc4N(C)c4ccccc43)cc25)c2ccccc21.

What is the InChIKey of 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine?

The InChIKey is PSGLWKUDIQZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O2/c1-45-33-11-3-7-15-37(33)47(38-16-8-4-12-34(38)45)27-19-21-41-29(23-27)31-25-44-32(26-43(31)49-41)30-24-28(20-22-42(30)50-44)48-39-17-9-5-13-35(39)46(2)36-14-6-10-18-40(36)48/h3-26H,1-2H3.

What are the key properties of 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine?

5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine has a molecular weight of 646.75 g/mol, XLogP of 12.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine is sourced from PubChem (CID 59146950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).