17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine

C54H39N5 — CID 144635165

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine (PubChem CID 144635165) has the molecular formula C54H39N5 and a molecular weight of 757.94 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
• PubChem CID: 144635165
• Molecular Formula: C54H39N5
• Molecular Weight: 757.94 g/mol
• Exact Mass: 757.32
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cc3c4ccccc4c4ccccc4c3cc21
• InChI: InChI=1S/C54H39N5/c1-54(2)47-33-40(58(38-23-11-5-12-24-38)39-25-13-6-14-26-39)31-32-49(47)59(53-56-51(36-19-7-3-8-20-36)55-52(57-53)37-21-9-4-10-22-37)50-35-46-44-30-18-16-28-42(44)41-27-15-17-29-43(41)45(46)34-48(50)54/h3-35H,1-2H3
• InChIKey: XKUOBYCLOLYWAN-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.94
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?

The IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine (CID 144635165) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine.

What is the SMILES notation for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?

The canonical SMILES for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2cc3c4ccccc4c4ccccc4c3cc21.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?

The InChIKey is XKUOBYCLOLYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5/c1-54(2)47-33-40(58(38-23-11-5-12-24-38)39-25-13-6-14-26-39)31-32-49(47)59(53-56-51(36-19-7-3-8-20-36)55-52(57-53)37-21-9-4-10-22-37)50-35-46-44-30-18-16-28-42(44)41-27-15-17-29-43(41)45(46)34-48(50)54/h3-35H,1-2H3.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine?

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine has a molecular weight of 757.94 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine is sourced from PubChem (CID 144635165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).