14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene

C37H25N3 — CID 71230280

About 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene

14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene (PubChem CID 71230280) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
• PubChem CID: 71230280
• Molecular Formula: C37H25N3
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.20
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3nc5ccccc5cc3c3nc5ccccc5n43)cc21
• InChI: InChI=1S/C37H25N3/c1-37(2)29-11-5-4-10-25(29)26-17-15-23(21-30(26)37)22-16-18-33-27(19-22)35-28(20-24-9-3-6-12-31(24)38-35)36-39-32-13-7-8-14-34(32)40(33)36/h3-21H,1-2H3
• InChIKey: NAPQYHVTGIZUOA-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene (CID 71230280) is 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3nc5ccccc5cc3c3nc5ccccc5n43)cc21.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The InChIKey is NAPQYHVTGIZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-37(2)29-11-5-4-10-25(29)26-17-15-23(21-30(26)37)22-16-18-33-27(19-22)35-28(20-24-9-3-6-12-31(24)38-35)36-39-32-13-7-8-14-34(32)40(33)36/h3-21H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene has a molecular weight of 511.63 g/mol, XLogP of 9.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene is sourced from PubChem (CID 71230280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).