N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

C130H163NO2 — CID 164754780

About N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (PubChem CID 164754780) has the molecular formula C130H163NO2 and a molecular weight of 1771.74 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.

Molecular Properties

• Compound Name: N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
• PubChem CID: 164754780
• Molecular Formula: C130H163NO2
• Molecular Weight: 1771.74 g/mol
• Exact Mass: 1770.27
• IUPAC Name: N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6oc7ccccc7c6c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C130H163NO2/c1-9-17-25-33-41-57-84-127(85-58-42-34-26-18-10-2)110-82-83-117-119(105-71-52-55-76-115(105)132-117)118(110)108-95-113-107(94-114(108)127)102-80-78-98(92-111(102)128(113,86-59-43-35-27-19-11-3)87-60-44-36-28-20-12-4)131(125-100(96-66-47-45-48-67-96)73-65-74-101(125)97-68-49-46-50-69-97)99-79-81-104-112(93-99)130(90-63-39-31-23-15-7,91-64-40-32-24-16-8)123-120(104)121-106-72-53-56-77-116(106)133-126(121)122-103-70-51-54-75-109(103)129(124(122)123,88-61-37-29-21-13-5)89-62-38-30-22-14-6/h45-56,65-83,92-95H,9-44,57-64,84-91H2,1-8H3
• InChIKey: RYEJXWKTCJUMHS-UHFFFAOYSA-N
• XLogP: 41.80
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 57
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1771.74
LogP ≤ 5	41.80
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 N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The IUPAC name of N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (CID 164754780) is N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.

What is the SMILES notation for N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The canonical SMILES for N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6oc7ccccc7c6c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC.

What is the InChIKey of N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The InChIKey is RYEJXWKTCJUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H163NO2/c1-9-17-25-33-41-57-84-127(85-58-42-34-26-18-10-2)110-82-83-117-119(105-71-52-55-76-115(105)132-117)118(110)108-95-113-107(94-114(108)127)102-80-78-98(92-111(102)128(113,86-59-43-35-27-19-11-3)87-60-44-36-28-20-12-4)131(125-100(96-66-47-45-48-67-96)73-65-74-101(125)97-68-49-46-50-69-97)99-79-81-104-112(93-99)130(90-63-39-31-23-15-7,91-64-40-32-24-16-8)123-120(104)121-106-72-53-56-77-116(106)133-126(121)122-103-70-51-54-75-109(103)129(124(122)123,88-61-37-29-21-13-5)89-62-38-30-22-14-6/h45-56,65-83,92-95H,9-44,57-64,84-91H2,1-8H3.

What are the key properties of N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine has a molecular weight of 1771.74 g/mol, XLogP of 41.80, 57 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diphenylphenyl)-18,18,21,21-tetraheptyl-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-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is sourced from PubChem (CID 164754780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).