N-methyl-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

C34H23N3 — CID 89309469

About N-methyl-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-methyl-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 89309469) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-methyl-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-methyl-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: 89309469
• Molecular Formula: C34H23N3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.19
• IUPAC Name: N-methyl-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: CN(c1ccccc1)c1ccc2ccc3c4c(ccc1c24)cc1c3c2ccncc2n1-c1ccccc1
• InChI: InChI=1S/C34H23N3/c1-36(24-8-4-2-5-9-24)29-17-14-22-12-16-28-33-23(13-15-26(29)32(22)33)20-30-34(28)27-18-19-35-21-31(27)37(30)25-10-6-3-7-11-25/h2-21H,1H3
• InChIKey: CWUJYRFQEVPPII-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	8.84
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-methyl-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-methyl-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 89309469) is N-methyl-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-methyl-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-methyl-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 CN(c1ccccc1)c1ccc2ccc3c4c(ccc1c24)cc1c3c2ccncc2n1-c1ccccc1.

What is the InChIKey of N-methyl-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 CWUJYRFQEVPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-36(24-8-4-2-5-9-24)29-17-14-22-12-16-28-33-23(13-15-26(29)32(22)33)20-30-34(28)27-18-19-35-21-31(27)37(30)25-10-6-3-7-11-25/h2-21H,1H3.

What are the key properties of N-methyl-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-methyl-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 473.58 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-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 89309469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).