9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

C36H24N2 — CID 89309453

About 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (PubChem CID 89309453) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
• PubChem CID: 89309453
• Molecular Formula: C36H24N2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.19
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4cnccc4c4c5ccc6cccc7ccc(cc43)c5c76)cc21
• InChI: InChI=1S/C36H24N2/c1-36(2)29-9-4-3-8-25(29)26-15-13-24(19-30(26)36)38-31-18-23-11-10-21-6-5-7-22-12-14-28(34(23)33(21)22)35(31)27-16-17-37-20-32(27)38/h3-20H,1-2H3
• InChIKey: ORPXNUGBZCKKMN-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (CID 89309453) is 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2ccc(-n3c4cnccc4c4c5ccc6cccc7ccc(cc43)c5c76)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

The InChIKey is ORPXNUGBZCKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-36(2)29-9-4-3-8-25(29)26-15-13-24(19-30(26)36)38-31-18-23-11-10-21-6-5-7-22-12-14-28(34(23)33(21)22)35(31)27-16-17-37-20-32(27)38/h3-20H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?

9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene has a molecular weight of 484.60 g/mol, XLogP of 9.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 89309453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).