18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine

C124H159NO2 — CID 146439644

About 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine

18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine (PubChem CID 146439644) has the molecular formula C124H159NO2 and a molecular weight of 1695.64 g/mol. Its IUPAC name is 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine.

Molecular Properties

• Compound Name: 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
• PubChem CID: 146439644
• Molecular Formula: C124H159NO2
• Molecular Weight: 1695.64 g/mol
• Exact Mass: 1694.24
• IUPAC Name: 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C124H159NO2/c1-9-17-25-33-41-54-80-121(81-55-42-34-26-18-10-2)105-78-79-112-114(100-65-49-52-68-110(100)126-112)113(105)103-91-108-102(90-109(103)121)97-76-74-95(88-106(97)122(108,82-56-43-35-27-19-11-3)83-57-44-36-28-20-12-4)125(94-72-70-93(71-73-94)92-62-46-45-47-63-92)96-75-77-99-107(89-96)124(86-60-39-31-23-15-7,87-61-40-32-24-16-8)119-117(99)120-116(101-66-50-53-69-111(101)127-120)115-98-64-48-51-67-104(98)123(118(115)119,84-58-37-29-21-13-5)85-59-38-30-22-14-6/h45-53,62-79,88-91H,9-44,54-61,80-87H2,1-8H3
• InChIKey: SVZAFDCBZLNUBY-UHFFFAOYSA-N
• XLogP: 40.13
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 56
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1695.64
LogP ≤ 5	40.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The IUPAC name of 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine (CID 146439644) is 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine.

What is the SMILES notation for 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The canonical SMILES for 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC.

What is the InChIKey of 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The InChIKey is SVZAFDCBZLNUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H159NO2/c1-9-17-25-33-41-54-80-121(81-55-42-34-26-18-10-2)105-78-79-112-114(100-65-49-52-68-110(100)126-112)113(105)103-91-108-102(90-109(103)121)97-76-74-95(88-106(97)122(108,82-56-43-35-27-19-11-3)83-57-44-36-28-20-12-4)125(94-72-70-93(71-73-94)92-62-46-45-47-63-92)96-75-77-99-107(89-96)124(86-60-39-31-23-15-7,87-61-40-32-24-16-8)119-117(99)120-116(101-66-50-53-69-111(101)127-120)115-98-64-48-51-67-104(98)123(118(115)119,84-58-37-29-21-13-5)85-59-38-30-22-14-6/h45-53,62-79,88-91H,9-44,54-61,80-87H2,1-8H3.

What are the key properties of 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine has a molecular weight of 1695.64 g/mol, XLogP of 40.13, 56 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine is sourced from PubChem (CID 146439644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).