9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole

C105H65N3O6 — CID 164993998

About 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole

9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole (PubChem CID 164993998) has the molecular formula C105H65N3O6 and a molecular weight of 1464.69 g/mol. Its IUPAC name is 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole
• PubChem CID: 164993998
• Molecular Formula: C105H65N3O6
• Molecular Weight: 1464.69 g/mol
• Exact Mass: 1463.49
• IUPAC Name: 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole
• SMILES: CC1(C)c2ccccc2N(c2cccc3oc4ccc5c6ccccc6oc5c4c23)c2ccccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1.c1ccc2c(c1)oc1c2ccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c21
• InChI: InChI=1S/C42H25NO2.C33H23NO2.C30H17NO2/c1-3-10-26(11-4-1)28-18-21-34-32(24-28)33-25-29(27-12-5-2-6-13-27)19-22-35(33)43(34)36-15-9-17-38-40(36)41-39(44-38)23-20-31-30-14-7-8-16-37(30)45-42(31)41;1-33(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(35-28)19-18-21-20-10-3-8-16-27(20)36-32(21)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(32-26)17-16-21-20-10-3-6-14-25(20)33-30(21)29/h1-25H;3-19H,1-2H3;1-17H
• InChIKey: HHACQGYAZHEHDZ-UHFFFAOYSA-N
• XLogP: 30.09
• TPSA: 91.94 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1464.69
LogP ≤ 5	30.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole?

The IUPAC name of 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole (CID 164993998) is 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole.

What is the SMILES notation for 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole?

The canonical SMILES for 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole is CC1(C)c2ccccc2N(c2cccc3oc4ccc5c6ccccc6oc5c4c23)c2ccccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1.c1ccc2c(c1)oc1c2ccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c21.

What is the InChIKey of 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole?

The InChIKey is HHACQGYAZHEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2.C33H23NO2.C30H17NO2/c1-3-10-26(11-4-1)28-18-21-34-32(24-28)33-25-29(27-12-5-2-6-13-27)19-22-35(33)43(34)36-15-9-17-38-40(36)41-39(44-38)23-20-31-30-14-7-8-16-37(30)45-42(31)41;1-33(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(35-28)19-18-21-20-10-3-8-16-27(20)36-32(21)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(32-26)17-16-21-20-10-3-6-14-25(20)33-30(21)29/h1-25H;3-19H,1-2H3;1-17H.

What are the key properties of 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole?

9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole has a molecular weight of 1464.69 g/mol, XLogP of 30.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(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)carbazole;10-(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)-9,9-dimethylacridine;9-(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)-3,6-diphenylcarbazole is sourced from PubChem (CID 164993998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).