13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

C35H23N5 — CID 146652303

About 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (PubChem CID 146652303) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• PubChem CID: 146652303
• Molecular Formula: C35H23N5
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.20
• IUPAC Name: 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• SMILES: CC1(C)c2ccccc2-c2c(-c3cc4c5c(c3)n3c6ccccc6nc3n5c3nc5ccccc5n43)cccc21
• InChI: InChI=1S/C35H23N5/c1-35(2)23-12-4-3-10-22(23)31-21(11-9-13-24(31)35)20-18-29-32-30(19-20)39-28-17-8-6-15-26(28)37-34(39)40(32)33-36-25-14-5-7-16-27(25)38(29)33/h3-19H,1-2H3
• InChIKey: HIYQWICVHNWBKN-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 39.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The IUPAC name of 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (CID 146652303) is 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

What is the SMILES notation for 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The canonical SMILES for 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is CC1(C)c2ccccc2-c2c(-c3cc4c5c(c3)n3c6ccccc6nc3n5c3nc5ccccc5n43)cccc21.

What is the InChIKey of 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The InChIKey is HIYQWICVHNWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-35(2)23-12-4-3-10-22(23)31-21(11-9-13-24(31)35)20-18-29-32-30(19-20)39-28-17-8-6-15-26(28)37-34(39)40(32)33-36-25-14-5-7-16-27(25)38(29)33/h3-19H,1-2H3.

What are the key properties of 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene has a molecular weight of 513.60 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is sourced from PubChem (CID 146652303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).