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

C142H146N2O — CID 155458207

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

15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 155458207) has the molecular formula C142H146N2O and a molecular weight of 1896.74 g/mol. Its IUPAC name is 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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: 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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: 155458207
• Molecular Formula: C142H146N2O
• Molecular Weight: 1896.74 g/mol
• Exact Mass: 1895.14
• IUPAC Name: 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc7-8)cc6)c6ccc7c(c6)C(C)(C)c6c8c(c9c(oc%10ccccc%109)c6-7)-c6ccc(N(c7ccccc7)c7ccccc7)cc6C8(C)C)cc5)ccc3-4)cc21
• InChI: InChI=1S/C142H146N2O/c1-13-17-21-25-29-45-83-141(84-46-30-26-22-18-14-2)120-56-42-39-53-109(120)115-79-67-101(91-128(115)141)99-65-77-113-111-75-63-97(87-122(111)137(5,6)124(113)89-99)95-59-69-105(70-60-95)144(108-74-82-118-127(94-108)140(11,12)135-133(118)136-132(119-55-41-44-58-130(119)145-136)131-117-81-73-107(93-126(117)139(9,10)134(131)135)143(103-49-35-33-36-50-103)104-51-37-34-38-52-104)106-71-61-96(62-72-106)98-64-76-112-114-78-66-100(90-125(114)138(7,8)123(112)88-98)102-68-80-116-110-54-40-43-57-121(110)142(129(116)92-102,85-47-31-27-23-19-15-3)86-48-32-28-24-20-16-4/h33-44,49-82,87-94H,13-32,45-48,83-86H2,1-12H3
• InChIKey: CWRYJMVZAHYOSP-UHFFFAOYSA-N
• XLogP: 41.95
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 38
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1896.74
LogP ≤ 5	41.95
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-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 155458207) is 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc7-8)cc6)c6ccc7c(c6)C(C)(C)c6c8c(c9c(oc%10ccccc%109)c6-7)-c6ccc(N(c7ccccc7)c7ccccc7)cc6C8(C)C)cc5)ccc3-4)cc21.

What is the InChIKey of 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 CWRYJMVZAHYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H146N2O/c1-13-17-21-25-29-45-83-141(84-46-30-26-22-18-14-2)120-56-42-39-53-109(120)115-79-67-101(91-128(115)141)99-65-77-113-111-75-63-97(87-122(111)137(5,6)124(113)89-99)95-59-69-105(70-60-95)144(108-74-82-118-127(94-108)140(11,12)135-133(118)136-132(119-55-41-44-58-130(119)145-136)131-117-81-73-107(93-126(117)139(9,10)134(131)135)143(103-49-35-33-36-50-103)104-51-37-34-38-52-104)106-71-61-96(62-72-106)98-64-76-112-114-78-66-100(90-125(114)138(7,8)123(112)88-98)102-68-80-116-110-54-40-43-57-121(110)142(129(116)92-102,85-47-31-27-23-19-15-3)86-48-32-28-24-20-16-4/h33-44,49-82,87-94H,13-32,45-48,83-86H2,1-12H3.

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

15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 1896.74 g/mol, XLogP of 41.95, 38 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N,15-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-24-N,24-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 155458207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).