16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

C51H36N2 — CID 166033581

About 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (PubChem CID 166033581) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.

Molecular Properties

• Compound Name: 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
• PubChem CID: 166033581
• Molecular Formula: C51H36N2
• Molecular Weight: 676.86 g/mol
• Exact Mass: 676.29
• IUPAC Name: 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2cc3c(cc2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1-3
• InChI: InChI=1S/C51H36N2/c1-35-22-23-39(36-14-6-2-7-15-36)34-51(35)53(44-20-12-5-13-21-44)46-27-25-38-31-48-49-32-40-28-45(26-24-37(40)30-47(49)50(48)33-41(38)29-46)52(42-16-8-3-9-17-42)43-18-10-4-11-19-43/h2-34H,1H3
• InChIKey: SZKLFZOEHMZVAR-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.86
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?

The IUPAC name of 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (CID 166033581) is 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.

What is the SMILES notation for 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?

The canonical SMILES for 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2cc3c(cc2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4)cc2cc1-3.

What is the InChIKey of 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?

The InChIKey is SZKLFZOEHMZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-35-22-23-39(36-14-6-2-7-15-36)34-51(35)53(44-20-12-5-13-21-44)46-27-25-38-31-48-49-32-40-28-45(26-24-37(40)30-47(49)50(48)33-41(38)29-46)52(42-16-8-3-9-17-42)43-18-10-4-11-19-43/h2-34H,1H3.

What are the key properties of 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?

16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine has a molecular weight of 676.86 g/mol, XLogP of 14.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-(2-methyl-5-phenylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is sourced from PubChem (CID 166033581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).