9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C143H94N8S3 — CID 163972851

About 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 163972851) has the molecular formula C143H94N8S3 and a molecular weight of 2020.58 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

• Compound Name: 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• PubChem CID: 163972851
• Molecular Formula: C143H94N8S3
• Molecular Weight: 2020.58 g/mol
• Exact Mass: 2018.68
• IUPAC Name: 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• SMILES: Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c3ccccc3c21
• InChI: InChI=1S/C38H28N2.3C35H22N2S/c1-38(2)30-17-9-6-12-24(30)25-21-20-23(22-31(25)38)40-33-19-11-8-16-29(33)35-34-28-15-7-10-18-32(28)39(3)36(34)26-13-4-5-14-27(26)37(35)40;1-36-27-17-7-4-14-25(27)31-32-26-15-5-8-18-28(26)37(34(32)23-13-3-2-12-22(23)33(31)36)29-19-10-16-24-21-11-6-9-20-30(21)38-35(24)29;1-36-28-15-7-4-13-26(28)32-33-27-14-5-8-16-29(27)37(35(33)25-12-3-2-11-24(25)34(32)36)21-18-19-23-22-10-6-9-17-30(22)38-31(23)20-21;1-36-28-15-7-4-13-25(28)32-33-26-14-5-8-16-29(26)37(35(33)24-12-3-2-11-23(24)34(32)36)21-18-19-31-27(20-21)22-10-6-9-17-30(22)38-31/h4-22H,1-3H3;3*2-20H,1H3
• InChIKey: SRNOAHHPCZTZNA-UHFFFAOYSA-N
• XLogP: 39.74
• TPSA: 39.44 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.58
LogP ≤ 5	39.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The IUPAC name of 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 163972851) is 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

What is the SMILES notation for 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The canonical SMILES for 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c3ccccc3c21.Cn1c2ccccc2c2c3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c3ccccc3c21.

What is the InChIKey of 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The InChIKey is SRNOAHHPCZTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2.3C35H22N2S/c1-38(2)30-17-9-6-12-24(30)25-21-20-23(22-31(25)38)40-33-19-11-8-16-29(33)35-34-28-15-7-10-18-32(28)39(3)36(34)26-13-4-5-14-27(26)37(35)40;1-36-27-17-7-4-14-25(27)31-32-26-15-5-8-18-28(26)37(34(32)23-13-3-2-12-22(23)33(31)36)29-19-10-16-24-21-11-6-9-20-30(21)38-35(24)29;1-36-28-15-7-4-13-26(28)32-33-27-14-5-8-16-29(27)37(35(33)25-12-3-2-11-24(25)34(32)36)21-18-19-23-22-10-6-9-17-30(22)38-31(23)20-21;1-36-28-15-7-4-13-25(28)32-33-26-14-5-8-16-29(26)37(35(33)24-12-3-2-11-23(24)34(32)36)21-18-19-31-27(20-21)22-10-6-9-17-30(22)38-31/h4-22H,1-3H3;3*2-20H,1H3.

What are the key properties of 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 2020.58 g/mol, XLogP of 39.74, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 163972851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).