15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C41H29N — CID 90310203

About 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 90310203) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 90310203
• Molecular Formula: C41H29N
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.23
• IUPAC Name: 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4cc5c(cc4c4ccccc34)c3ccccc3n5-c3ccccc3)cc21
• InChI: InChI=1S/C41H29N/c1-41(2)37-18-10-8-16-31(37)32-21-20-26(23-38(32)41)34-22-27-24-40-36(25-35(27)30-15-7-6-14-29(30)34)33-17-9-11-19-39(33)42(40)28-12-4-3-5-13-28/h3-25H,1-2H3
• InChIKey: OIHUPNZAAAFHMA-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	11.06
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 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 90310203) is 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3cc4cc5c(cc4c4ccccc34)c3ccccc3n5-c3ccccc3)cc21.

What is the InChIKey of 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is OIHUPNZAAAFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-41(2)37-18-10-8-16-31(37)32-21-20-26(23-38(32)41)34-22-27-24-40-36(25-35(27)30-15-7-6-14-29(30)34)33-17-9-11-19-39(33)42(40)28-12-4-3-5-13-28/h3-25H,1-2H3.

What are the key properties of 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 535.69 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9,9-dimethylfluoren-2-yl)-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 90310203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).