9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine

C93H57N3O3S4 — CID 165047695

About 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine

9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine (PubChem CID 165047695) has the molecular formula C93H57N3O3S4 and a molecular weight of 1392.76 g/mol. Its IUPAC name is 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine.

Molecular Properties

• Compound Name: 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine
• PubChem CID: 165047695
• Molecular Formula: C93H57N3O3S4
• Molecular Weight: 1392.76 g/mol
• Exact Mass: 1391.33
• IUPAC Name: 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine
• SMILES: CC1(C)c2ccccc2N(c2cccc3sc4ccc5c6ccccc6oc5c4c23)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1cccc2sc3ccc4c5ccccc5oc4c3c12.c1ccc2c(c1)oc1c2ccc2sc3cccc(-n4c5ccccc5c5ccccc54)c3c21
• InChI: InChI=1S/C33H23NOS.C30H17NOS2.C30H17NOS/c1-33(2)22-11-4-6-13-24(22)34(25-14-7-5-12-23(25)33)26-15-9-17-28-30(26)31-29(36-28)19-18-21-20-10-3-8-16-27(20)35-32(21)31;1-4-12-23-18(8-1)19-16-17-27-29(30(19)32-23)28-22(11-7-15-26(28)34-27)31-20-9-2-5-13-24(20)33-25-14-6-3-10-21(25)31;1-4-11-22-18(8-1)19-9-2-5-12-23(19)31(22)24-13-7-15-26-28(24)29-27(33-26)17-16-21-20-10-3-6-14-25(20)32-30(21)29/h3-19H,1-2H3;1-17H;1-17H
• InChIKey: PDZAFQHVFKLDKT-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 50.83 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1392.76
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine?

The IUPAC name of 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine (CID 165047695) is 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine.

What is the SMILES notation for 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine?

The canonical SMILES for 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine is CC1(C)c2ccccc2N(c2cccc3sc4ccc5c6ccccc6oc5c4c23)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1cccc2sc3ccc4c5ccccc5oc4c3c12.c1ccc2c(c1)oc1c2ccc2sc3cccc(-n4c5ccccc5c5ccccc54)c3c21.

What is the InChIKey of 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine?

The InChIKey is PDZAFQHVFKLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NOS.C30H17NOS2.C30H17NOS/c1-33(2)22-11-4-6-13-24(22)34(25-14-7-5-12-23(25)33)26-15-9-17-28-30(26)31-29(36-28)19-18-21-20-10-3-8-16-27(20)35-32(21)31;1-4-12-23-18(8-1)19-16-17-27-29(30(19)32-23)28-22(11-7-15-26(28)34-27)31-20-9-2-5-13-24(20)33-25-14-6-3-10-21(25)31;1-4-11-22-18(8-1)19-9-2-5-12-23(19)31(22)24-13-7-15-26-28(24)29-27(33-26)17-16-21-20-10-3-6-14-25(20)32-30(21)29/h3-19H,1-2H3;1-17H;1-17H.

What are the key properties of 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine?

9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine has a molecular weight of 1392.76 g/mol, XLogP of 29.00, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)acridine;9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;10-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenothiazine is sourced from PubChem (CID 165047695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).