15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine

C156H151NO2 — CID 164754672

About 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine

15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine (PubChem CID 164754672) has the molecular formula C156H151NO2 and a molecular weight of 2071.93 g/mol. Its IUPAC name is 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine.

Molecular Properties

• Compound Name: 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine
• PubChem CID: 164754672
• Molecular Formula: C156H151NO2
• Molecular Weight: 2071.93 g/mol
• Exact Mass: 2070.17
• IUPAC Name: 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine
• SMILES: CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(c8c6oc6ccccc68)-c6cc8c(cc6C7(C)C)-c6ccc(N(c7ccccc7)c7ccc9c(c7)C(C)(C)c7c%10c(c%11oc%12ccccc%12c%11c7-9)-c7ccc(-c9ccc%11c(c9)C(C)(C)c9cc(-c%12ccc%13c(c%12)C(CCCCCCC)(CCCCCCC)c%12ccccc%12-%13)ccc9-%11)cc7C%10(C)C)cc6C8(C)C)cc5)ccc3-4)cc21
• InChI: InChI=1S/C156H151NO2/c1-17-21-25-29-44-80-155(81-45-30-26-22-18-2)124-54-40-36-50-108(124)114-75-66-103(89-135(114)155)100-64-73-111-110-71-62-98(84-126(110)149(5,6)128(111)86-100)96-58-60-97(61-59-96)121-93-137-140(142-119-52-38-42-56-138(119)158-147(121)142)123-95-133-122(94-134(123)152(137,11)12)116-78-69-106(91-131(116)151(133,9)10)157(105-48-34-33-35-49-105)107-70-79-117-132(92-107)154(15,16)145-141(117)143-120-53-39-43-57-139(120)159-148(143)144-118-77-68-102(88-130(118)153(13,14)146(144)145)99-63-72-112-113-74-65-101(87-129(113)150(7,8)127(112)85-99)104-67-76-115-109-51-37-41-55-125(109)156(136(115)90-104,82-46-31-27-23-19-3)83-47-32-28-24-20-4/h33-43,48-79,84-95H,17-32,44-47,80-83H2,1-16H3
• InChIKey: AGKSECUUQKRZGA-UHFFFAOYSA-N
• XLogP: 45.10
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2071.93
LogP ≤ 5	45.10
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 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine?

The IUPAC name of 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine (CID 164754672) is 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine.

What is the SMILES notation for 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine?

The canonical SMILES for 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine is CCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c(c8c6oc6ccccc68)-c6cc8c(cc6C7(C)C)-c6ccc(N(c7ccccc7)c7ccc9c(c7)C(C)(C)c7c%10c(c%11oc%12ccccc%12c%11c7-9)-c7ccc(-c9ccc%11c(c9)C(C)(C)c9cc(-c%12ccc%13c(c%12)C(CCCCCCC)(CCCCCCC)c%12ccccc%12-%13)ccc9-%11)cc7C%10(C)C)cc6C8(C)C)cc5)ccc3-4)cc21.

What is the InChIKey of 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine?

The InChIKey is AGKSECUUQKRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H151NO2/c1-17-21-25-29-44-80-155(81-45-30-26-22-18-2)124-54-40-36-50-108(124)114-75-66-103(89-135(114)155)100-64-73-111-110-71-62-98(84-126(110)149(5,6)128(111)86-100)96-58-60-97(61-59-96)121-93-137-140(142-119-52-38-42-56-138(119)158-147(121)142)123-95-133-122(94-134(123)152(137,11)12)116-78-69-106(91-131(116)151(133,9)10)157(105-48-34-33-35-49-105)107-70-79-117-132(92-107)154(15,16)145-141(117)143-120-53-39-43-57-139(120)159-148(143)144-118-77-68-102(88-130(118)153(13,14)146(144)145)99-63-72-112-113-74-65-101(87-129(113)150(7,8)127(112)85-99)104-67-76-115-109-51-37-41-55-125(109)156(136(115)90-104,82-46-31-27-23-19-3)83-47-32-28-24-20-4/h33-43,48-79,84-95H,17-32,44-47,80-83H2,1-16H3.

What are the key properties of 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine?

15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine has a molecular weight of 2071.93 g/mol, XLogP of 45.10, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15,25,25-tetramethyl-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]-18,18,21,21-tetramethyl-N-phenyl-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-24-amine is sourced from PubChem (CID 164754672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).