N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C145H147NO2 — CID 168838310

About N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 168838310) has the molecular formula C145H147NO2 and a molecular weight of 1935.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• PubChem CID: 168838310
• Molecular Formula: C145H147NO2
• Molecular Weight: 1935.78 g/mol
• Exact Mass: 1934.14
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5oc5ccccc57)-c5ccc(N(c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9oc%10ccccc%10c9c7-8)c7cccc8c7-c7ccccc7C8(C)C)cc5C6(C)C)ccc3-4)cc21
• InChI: InChI=1S/C145H147NO2/c1-15-19-23-27-31-45-78-144(79-46-32-28-24-20-16-2)116-56-41-35-50-100(116)106-72-64-94(84-125(106)144)92-62-70-102-104-74-66-96(86-121(104)140(7,8)119(102)82-92)113-90-127-133(135-111-53-38-43-60-130(111)147-137(113)135)109-76-68-98(88-123(109)142(127,11)12)146(129-59-49-58-118-132(129)108-52-37-40-55-115(108)139(118,5)6)99-69-77-110-124(89-99)143(13,14)128-91-114(138-136(134(110)128)112-54-39-44-61-131(112)148-138)97-67-75-105-103-71-63-93(83-120(103)141(9,10)122(105)87-97)95-65-73-107-101-51-36-42-57-117(101)145(126(107)85-95,80-47-33-29-25-21-17-3)81-48-34-30-26-22-18-4/h35-44,49-77,82-91H,15-34,45-48,78-81H2,1-14H3
• InChIKey: KNXJCOOBTQOQLC-UHFFFAOYSA-N
• XLogP: 42.69
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 35
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1935.78
LogP ≤ 5	42.69
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 N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 168838310) is N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5oc5ccccc57)-c5ccc(N(c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9oc%10ccccc%10c9c7-8)c7cccc8c7-c7ccccc7C8(C)C)cc5C6(C)C)ccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The InChIKey is KNXJCOOBTQOQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H147NO2/c1-15-19-23-27-31-45-78-144(79-46-32-28-24-20-16-2)116-56-41-35-50-100(116)106-72-64-94(84-125(106)144)92-62-70-102-104-74-66-96(86-121(104)140(7,8)119(102)82-92)113-90-127-133(135-111-53-38-43-60-130(111)147-137(113)135)109-76-68-98(88-123(109)142(127,11)12)146(129-59-49-58-118-132(129)108-52-37-40-55-115(108)139(118,5)6)99-69-77-110-124(89-99)143(13,14)128-91-114(138-136(134(110)128)112-54-39-44-61-131(112)148-138)97-67-75-105-103-71-63-93(83-120(103)141(9,10)122(105)87-97)95-65-73-107-101-51-36-42-57-117(101)145(126(107)85-95,80-47-33-29-25-21-17-3)81-48-34-30-26-22-18-4/h35-44,49-77,82-91H,15-34,45-48,78-81H2,1-14H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 1935.78 g/mol, XLogP of 42.69, 35 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 168838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).