24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine

C143H143NO2 — CID 164801175

About 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine

24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine (PubChem CID 164801175) has the molecular formula C143H143NO2 and a molecular weight of 1907.72 g/mol. Its IUPAC name is 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine.

Molecular Properties

• Compound Name: 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine
• PubChem CID: 164801175
• Molecular Formula: C143H143NO2
• Molecular Weight: 1907.72 g/mol
• Exact Mass: 1906.11
• IUPAC Name: 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine
• SMILES: CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5c7c(c8oc9ccccc9c8c5-6)-c5ccc(N(c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCC)(CCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9c(oc%10ccccc%109)c6-8)c6c(C)cccc6C)cc5C7(C)C)ccc3-4)cc21
• InChI: InChI=1S/C143H143NO2/c1-17-21-25-29-41-74-142(75-42-30-26-22-18-2)113-52-37-33-48-99(113)105-68-59-94(82-122(105)142)91-57-66-102-101-65-56-90(78-115(101)137(7,8)116(102)79-91)93-61-71-108-119(81-93)140(13,14)132-129(108)130-111-51-36-40-55-126(111)146-136(130)131-109-73-64-98(86-121(109)141(15,16)133(131)132)144(134-88(5)46-45-47-89(134)6)97-63-72-107-120(85-97)139(11,12)124-87-112(127-110-50-35-39-54-125(110)145-135(127)128(107)124)96-62-70-104-103-67-58-92(80-117(103)138(9,10)118(104)84-96)95-60-69-106-100-49-34-38-53-114(100)143(123(106)83-95,76-43-31-27-23-19-3)77-44-32-28-24-20-4/h33-40,45-73,78-87H,17-32,41-44,74-77H2,1-16H3
• InChIKey: UKDSUJYNNAKENX-UHFFFAOYSA-N
• XLogP: 41.75
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1907.72
LogP ≤ 5	41.75
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 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine?

The IUPAC name of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine (CID 164801175) is 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine.

What is the SMILES notation for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine?

The canonical SMILES for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine is CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5c7c(c8oc9ccccc9c8c5-6)-c5ccc(N(c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCC)(CCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9c(oc%10ccccc%109)c6-8)c6c(C)cccc6C)cc5C7(C)C)ccc3-4)cc21.

What is the InChIKey of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine?

The InChIKey is UKDSUJYNNAKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H143NO2/c1-17-21-25-29-41-74-142(75-42-30-26-22-18-2)113-52-37-33-48-99(113)105-68-59-94(82-122(105)142)91-57-66-102-101-65-56-90(78-115(101)137(7,8)116(102)79-91)93-61-71-108-119(81-93)140(13,14)132-129(108)130-111-51-36-40-55-126(111)146-136(130)131-109-73-64-98(86-121(109)141(15,16)133(131)132)144(134-88(5)46-45-47-89(134)6)97-63-72-107-120(85-97)139(11,12)124-87-112(127-110-50-35-39-54-125(110)145-135(127)128(107)124)96-62-70-104-103-67-58-92(80-117(103)138(9,10)118(104)84-96)95-60-69-106-100-49-34-38-53-114(100)143(123(106)83-95,76-43-31-27-23-19-3)77-44-32-28-24-20-4/h33-40,45-73,78-87H,17-32,41-44,74-77H2,1-16H3.

What are the key properties of 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine?

24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine has a molecular weight of 1907.72 g/mol, XLogP of 41.75, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[5-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl]-N-(2,6-dimethylphenyl)-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(17),13,15,19,22(27),23,25-dodecaen-15-amine is sourced from PubChem (CID 164801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).