10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

C54H41N3 — CID 146376358

About 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (PubChem CID 146376358) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

Molecular Properties

• Compound Name: 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• PubChem CID: 146376358
• Molecular Formula: C54H41N3
• Molecular Weight: 731.94 g/mol
• Exact Mass: 731.33
• IUPAC Name: 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• SMILES: Cc1ccc(C)c(N(c2ccccc2)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccccc6)c6cc(C)ccc6C)c6ccccc6cc5n3c24)c1
• InChI: InChI=1S/C54H41N3/c1-34-26-28-36(3)46(30-34)55(40-18-7-5-8-19-40)53-42-22-13-11-16-38(42)32-48-50(53)44-24-15-25-45-51-49(57(48)52(44)45)33-39-17-12-14-23-43(39)54(51)56(41-20-9-6-10-21-41)47-31-35(2)27-29-37(47)4/h5-33H,1-4H3
• InChIKey: HYURHTZYGYHOGX-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.94
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The IUPAC name of 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (CID 146376358) is 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

What is the SMILES notation for 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The canonical SMILES for 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is Cc1ccc(C)c(N(c2ccccc2)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccccc6)c6cc(C)ccc6C)c6ccccc6cc5n3c24)c1.

What is the InChIKey of 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The InChIKey is HYURHTZYGYHOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3/c1-34-26-28-36(3)46(30-34)55(40-18-7-5-8-19-40)53-42-22-13-11-16-38(42)32-48-50(53)44-24-15-25-45-51-49(57(48)52(44)45)33-39-17-12-14-23-43(39)54(51)56(41-20-9-6-10-21-41)47-31-35(2)27-29-37(47)4/h5-33H,1-4H3.

What are the key properties of 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine has a molecular weight of 731.94 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is sourced from PubChem (CID 146376358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).