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

C111H69N3O6S — CID 164975433

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

9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine (PubChem CID 164975433) has the molecular formula C111H69N3O6S and a molecular weight of 1572.85 g/mol. Its IUPAC name is 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine.

Molecular Properties

• Compound Name: 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine
• PubChem CID: 164975433
• Molecular Formula: C111H69N3O6S
• Molecular Weight: 1572.85 g/mol
• Exact Mass: 1571.49
• IUPAC Name: 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine
• SMILES: CC1(C)c2ccccc2N(c2ccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)cc2)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1.c1ccc2c(c1)oc1c2ccc2oc3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c21
• InChI: InChI=1S/C39H27NO2.C36H21NO2S.C36H21NO2/c1-39(2)29-12-4-6-14-31(29)40(32-15-7-5-13-30(32)39)25-20-18-24(19-21-25)26-11-9-17-34-36(26)37-35(41-34)23-22-28-27-10-3-8-16-33(27)42-38(28)37;1-4-12-29-25(8-1)26-20-21-31-35(36(26)39-29)34-24(9-7-13-30(34)38-31)22-16-18-23(19-17-22)37-27-10-2-5-14-32(27)40-33-15-6-3-11-28(33)37;1-4-12-29-25(8-1)26-9-2-5-13-30(26)37(29)23-18-16-22(17-19-23)24-11-7-15-32-34(24)35-33(38-32)21-20-28-27-10-3-6-14-31(27)39-36(28)35/h3-23H,1-2H3;1-21H;1-21H
• InChIKey: DSBZUFRIIMNDAA-UHFFFAOYSA-N
• XLogP: 32.60
• TPSA: 90.25 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1572.85
LogP ≤ 5	32.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine (CID 164975433) is 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine.

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

The canonical SMILES for 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine is CC1(C)c2ccccc2N(c2ccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)cc2)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1.c1ccc2c(c1)oc1c2ccc2oc3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c21.

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

The InChIKey is DSBZUFRIIMNDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2.C36H21NO2S.C36H21NO2/c1-39(2)29-12-4-6-14-31(29)40(32-15-7-5-13-30(32)39)25-20-18-24(19-21-25)26-11-9-17-34-36(26)37-35(41-34)23-22-28-27-10-3-8-16-33(27)42-38(28)37;1-4-12-29-25(8-1)26-20-21-31-35(36(26)39-29)34-24(9-7-13-30(34)38-31)22-16-18-23(19-17-22)37-27-10-2-5-14-32(27)40-33-15-6-3-11-28(33)37;1-4-12-29-25(8-1)26-9-2-5-13-30(26)37(29)23-18-16-22(17-19-23)24-11-7-15-32-34(24)35-33(38-32)21-20-28-27-10-3-6-14-31(27)39-36(28)35/h3-23H,1-2H3;1-21H;1-21H.

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

9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine has a molecular weight of 1572.85 g/mol, XLogP of 32.60, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine is sourced from PubChem (CID 164975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).