24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine

C154H154N2O — CID 139483256

About 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine

24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine (PubChem CID 139483256) has the molecular formula C154H154N2O and a molecular weight of 2048.94 g/mol. Its IUPAC name is 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine.

Molecular Properties

• Compound Name: 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine
• PubChem CID: 139483256
• Molecular Formula: C154H154N2O
• Molecular Weight: 2048.94 g/mol
• Exact Mass: 2047.21
• IUPAC Name: 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)cc%10)ccc8-9)cc7)c7ccc8c(c7)C(C)(C)c7c9c(c%10oc%11ccccc%11c%10c7-8)-c7ccc(N(c8ccccc8)c8ccccc8)cc7C9(C)C)cc6)ccc4-5)cc3)cc21
• InChI: InChI=1S/C154H154N2O/c1-13-17-21-25-29-45-91-153(92-46-30-26-22-18-14-2)132-56-42-39-53-121(132)127-87-75-113(99-140(127)153)105-63-59-103(60-64-105)109-71-83-123-125-85-73-111(97-136(125)149(5,6)134(123)95-109)107-67-77-117(78-68-107)156(120-81-89-129-138(101-120)151(9,10)146-143(129)144-131-55-41-44-58-142(131)157-148(144)145-130-90-82-119(102-139(130)152(11,12)147(145)146)155(115-49-35-33-36-50-115)116-51-37-34-38-52-116)118-79-69-108(70-80-118)112-74-86-126-124-84-72-110(96-135(124)150(7,8)137(126)98-112)104-61-65-106(66-62-104)114-76-88-128-122-54-40-43-57-133(122)154(141(128)100-114,93-47-31-27-23-19-15-3)94-48-32-28-24-20-16-4/h33-44,49-90,95-102H,13-32,45-48,91-94H2,1-12H3
• InChIKey: GGFXZVXAUAJNCW-UHFFFAOYSA-N
• XLogP: 45.29
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 40
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2048.94
LogP ≤ 5	45.29
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-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine?

The IUPAC name of 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine (CID 139483256) is 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine.

What is the SMILES notation for 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine?

The canonical SMILES for 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)cc%10)ccc8-9)cc7)c7ccc8c(c7)C(C)(C)c7c9c(c%10oc%11ccccc%11c%10c7-8)-c7ccc(N(c8ccccc8)c8ccccc8)cc7C9(C)C)cc6)ccc4-5)cc3)cc21.

What is the InChIKey of 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine?

The InChIKey is GGFXZVXAUAJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H154N2O/c1-13-17-21-25-29-45-91-153(92-46-30-26-22-18-14-2)132-56-42-39-53-121(132)127-87-75-113(99-140(127)153)105-63-59-103(60-64-105)109-71-83-123-125-85-73-111(97-136(125)149(5,6)134(123)95-109)107-67-77-117(78-68-107)156(120-81-89-129-138(101-120)151(9,10)146-143(129)144-131-55-41-44-58-142(131)157-148(144)145-130-90-82-119(102-139(130)152(11,12)147(145)146)155(115-49-35-33-36-50-115)116-51-37-34-38-52-116)118-79-69-108(70-80-118)112-74-86-126-124-84-72-110(96-135(124)150(7,8)137(126)98-112)104-61-65-106(66-62-104)114-76-88-128-122-54-40-43-57-133(122)154(141(128)100-114,93-47-31-27-23-19-15-3)94-48-32-28-24-20-16-4/h33-44,49-90,95-102H,13-32,45-48,91-94H2,1-12H3.

What are the key properties of 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine?

24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine has a molecular weight of 2048.94 g/mol, XLogP of 45.29, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-N,24-N-bis[4-[7-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-15-N,15-N-diphenyl-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-dodecaene-15,24-diamine is sourced from PubChem (CID 139483256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).