4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

C38H25N — CID 59319124

About 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319124) has the molecular formula C38H25N and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

• Compound Name: 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
• PubChem CID: 59319124
• Molecular Formula: C38H25N
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.20
• IUPAC Name: 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21
• InChI: InChI=1S/C38H25N/c1-38(2)34-15-6-5-11-25(34)26-17-16-22(19-35(26)38)30-20-32-28-13-7-12-27-29-14-8-18-39-37(29)33(36(27)28)21-31(32)24-10-4-3-9-23(24)30/h3-21H,1-2H3
• InChIKey: LCJPCADEZKBLSU-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319124) is 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc21.

What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The InChIKey is LCJPCADEZKBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N/c1-38(2)34-15-6-5-11-25(34)26-17-16-22(19-35(26)38)30-20-32-28-13-7-12-27-29-14-8-18-39-37(29)33(36(27)28)21-31(32)24-10-4-3-9-23(24)30/h3-21H,1-2H3.

What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 495.63 g/mol, XLogP of 10.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).