N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine

C48H33N3 — CID 89309470

About N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine

N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine (PubChem CID 89309470) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine
• PubChem CID: 89309470
• Molecular Formula: C48H33N3
• Molecular Weight: 651.81 g/mol
• Exact Mass: 651.27
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccncc4n3-c3ccccc3)cc21
• InChI: InChI=1S/C48H33N3/c1-48(2)40-16-10-9-15-35(40)36-23-20-34(28-41(36)48)50(32-11-5-3-6-12-32)42-24-19-30-17-22-39-46-31(18-21-37(42)45(30)46)27-43-47(39)38-25-26-49-29-44(38)51(43)33-13-7-4-8-14-33/h3-29H,1-2H3
• InChIKey: GTTPIIPPECOULZ-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.81
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine (CID 89309470) is N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccncc4n3-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine?

The InChIKey is GTTPIIPPECOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)40-16-10-9-15-35(40)36-23-20-34(28-41(36)48)50(32-11-5-3-6-12-32)42-24-19-30-17-22-39-46-31(18-21-37(42)45(30)46)27-43-47(39)38-25-26-49-29-44(38)51(43)33-13-7-4-8-14-33/h3-29H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine?

N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine has a molecular weight of 651.81 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-6,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-amine is sourced from PubChem (CID 89309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).