N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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

C133H133NO3 — CID 167140581

About N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 167140581) has the molecular formula C133H133NO3 and a molecular weight of 1793.53 g/mol. Its IUPAC name is N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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: 167140581
• Molecular Formula: C133H133NO3
• Molecular Weight: 1793.53 g/mol
• Exact Mass: 1792.03
• IUPAC Name: N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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: CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5oc5ccccc57)-c5ccc(N(c7ccc(-c8c(CC)cc(-c9ccccc9)c9oc%10ccccc%10c89)c(CC)c7)c7ccc8c(c7)C(C)(C)c7c9c(c%10oc%11ccccc%11c%10c7-8)-c7ccccc7C9(C)C)cc5C6(CCCCCCC)CCCCCCC)ccc3-4)cc21
• InChI: InChI=1S/C133H133NO3/c1-13-19-23-27-44-72-132(73-45-28-24-20-14-2)107-56-40-34-50-94(107)97-67-61-88(79-111(97)132)87-60-66-95-96-68-62-89(80-109(96)129(7,8)108(95)78-87)105-83-113-118(121-102-53-37-42-58-115(102)136-127(105)121)100-71-65-92(82-112(100)133(113,74-46-29-25-21-15-3)75-47-30-26-22-16-4)134(90-63-69-93(84(17-5)76-90)117-85(18-6)77-104(86-48-32-31-33-49-86)126-120(117)101-52-36-41-57-114(101)135-126)91-64-70-99-110(81-91)131(11,12)124-119(99)122-103-54-38-43-59-116(103)137-128(122)123-98-51-35-39-55-106(98)130(9,10)125(123)124/h31-43,48-71,76-83H,13-30,44-47,72-75H2,1-12H3
• InChIKey: HAHAQPNFWWJXJF-UHFFFAOYSA-N
• XLogP: 39.54
• TPSA: 42.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 33
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1793.53
LogP ≤ 5	39.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 167140581) is N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5oc5ccccc57)-c5ccc(N(c7ccc(-c8c(CC)cc(-c9ccccc9)c9oc%10ccccc%10c89)c(CC)c7)c7ccc8c(c7)C(C)(C)c7c9c(c%10oc%11ccccc%11c%10c7-8)-c7ccccc7C9(C)C)cc5C6(CCCCCCC)CCCCCCC)ccc3-4)cc21.

What is the InChIKey of N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 HAHAQPNFWWJXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H133NO3/c1-13-19-23-27-44-72-132(73-45-28-24-20-14-2)107-56-40-34-50-94(107)97-67-61-88(79-111(97)132)87-60-66-95-96-68-62-89(80-109(96)129(7,8)108(95)78-87)105-83-113-118(121-102-53-37-42-58-115(102)136-127(105)121)100-71-65-92(82-112(100)133(113,74-46-29-25-21-15-3)75-47-30-26-22-16-4)134(90-63-69-93(84(17-5)76-90)117-85(18-6)77-104(86-48-32-31-33-49-86)126-120(117)101-52-36-41-57-114(101)135-126)91-64-70-99-110(81-91)131(11,12)124-119(99)122-103-54-38-43-59-116(103)137-128(122)123-98-51-35-39-55-106(98)130(9,10)125(123)124/h31-43,48-71,76-83H,13-30,44-47,72-75H2,1-12H3.

What are the key properties of N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 1793.53 g/mol, XLogP of 39.54, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-diheptyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-[3-ethyl-4-(2-ethyl-4-phenyldibenzofuran-1-yl)phenyl]-18,18,21,21-tetramethyl-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 167140581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).