N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

C127H135N — CID 155323817

About N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (PubChem CID 155323817) has the molecular formula C127H135N and a molecular weight of 1675.48 g/mol. Its IUPAC name is N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.

Molecular Properties

• Compound Name: N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
• PubChem CID: 155323817
• Molecular Formula: C127H135N
• Molecular Weight: 1675.48 g/mol
• Exact Mass: 1674.06
• IUPAC Name: N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
• SMILES: CCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5N(c5ccccc5-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7ccccc7-8)ccc5-6)c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(C)C)ccc3-4)cc21
• InChI: InChI=1S/C127H135N/c1-13-17-21-25-29-45-73-126(72-44-28-24-20-16-4)107-56-40-35-50-93(107)100-68-62-87(78-115(100)126)85-60-66-96-98-70-64-89(80-111(98)123(7,8)109(96)76-85)91-48-37-42-58-118(91)128(120-84-117-121(103-54-33-32-53-102(103)120)105-83-113-104(82-114(105)125(117,11)12)95-52-34-39-55-106(95)122(113,5)6)119-59-43-38-49-92(119)90-65-71-99-97-67-61-86(77-110(97)124(9,10)112(99)81-90)88-63-69-101-94-51-36-41-57-108(94)127(116(101)79-88,74-46-30-26-22-18-14-2)75-47-31-27-23-19-15-3/h32-43,48-71,76-84H,13-31,44-47,72-75H2,1-12H3
• InChIKey: HSMCIXZDHHFRHJ-UHFFFAOYSA-N
• XLogP: 37.35
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 34
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1675.48
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The IUPAC name of N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (CID 155323817) is N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.

What is the SMILES notation for N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The canonical SMILES for N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is CCCCCCCCC1(CCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5N(c5ccccc5-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7ccccc7-8)ccc5-6)c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(C)C)ccc3-4)cc21.

What is the InChIKey of N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The InChIKey is HSMCIXZDHHFRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H135N/c1-13-17-21-25-29-45-73-126(72-44-28-24-20-16-4)107-56-40-35-50-93(107)100-68-62-87(78-115(100)126)85-60-66-96-98-70-64-89(80-111(98)123(7,8)109(96)76-85)91-48-37-42-58-118(91)128(120-84-117-121(103-54-33-32-53-102(103)120)105-83-113-104(82-114(105)125(117,11)12)95-52-34-39-55-106(95)122(113,5)6)119-59-43-38-49-92(119)90-65-71-99-97-67-61-86(77-110(97)124(9,10)112(99)81-90)88-63-69-101-94-51-36-41-57-108(94)127(116(101)79-88,74-46-30-26-22-18-14-2)75-47-31-27-23-19-15-3/h32-43,48-71,76-84H,13-31,44-47,72-75H2,1-12H3.

What are the key properties of N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine has a molecular weight of 1675.48 g/mol, XLogP of 37.35, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is sourced from PubChem (CID 155323817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).