N-dibenzofuran-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

C142H141NO3 — CID 171449753

About N-dibenzofuran-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-dibenzofuran-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 171449753) has the molecular formula C142H141NO3 and a molecular weight of 1909.69 g/mol. Its IUPAC name is N-dibenzofuran-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-dibenzofuran-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: 171449753
• Molecular Formula: C142H141NO3
• Molecular Weight: 1909.69 g/mol
• Exact Mass: 1908.09
• IUPAC Name: N-dibenzofuran-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)c7cccc8c7oc7ccccc78)cc5C6(C)C)ccc3-4)cc21
• InChI: InChI=1S/C142H141NO3/c1-13-17-21-25-29-43-76-141(77-44-30-26-22-18-14-2)114-54-38-33-48-98(114)104-70-62-92(82-122(104)141)90-60-68-100-102-72-64-94(84-118(102)137(5,6)116(100)80-90)112-88-124-130(132-110-51-36-41-58-128(110)145-135(112)132)108-74-66-96(86-120(108)139(124,9)10)143(126-56-47-53-107-106-50-35-40-57-127(106)144-134(107)126)97-67-75-109-121(87-97)140(11,12)125-89-113(136-133(131(109)125)111-52-37-42-59-129(111)146-136)95-65-73-103-101-69-61-91(81-117(101)138(7,8)119(103)85-95)93-63-71-105-99-49-34-39-55-115(99)142(123(105)83-93,78-45-31-27-23-19-15-3)79-46-32-28-24-20-16-4/h33-42,47-75,80-89H,13-32,43-46,76-79H2,1-12H3
• InChIKey: WQOQVGOLNWVZDV-UHFFFAOYSA-N
• XLogP: 42.28
• TPSA: 42.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 35
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1909.69
LogP ≤ 5	42.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-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-dibenzofuran-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 171449753) is N-dibenzofuran-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-dibenzofuran-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-dibenzofuran-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)c7cccc8c7oc7ccccc78)cc5C6(C)C)ccc3-4)cc21.

What is the InChIKey of N-dibenzofuran-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 WQOQVGOLNWVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H141NO3/c1-13-17-21-25-29-43-76-141(77-44-30-26-22-18-14-2)114-54-38-33-48-98(114)104-70-62-92(82-122(104)141)90-60-68-100-102-72-64-94(84-118(102)137(5,6)116(100)80-90)112-88-124-130(132-110-51-36-41-58-128(110)145-135(112)132)108-74-66-96(86-120(108)139(124,9)10)143(126-56-47-53-107-106-50-35-40-57-127(106)144-134(107)126)97-67-75-109-121(87-97)140(11,12)125-89-113(136-133(131(109)125)111-52-37-42-59-129(111)146-136)95-65-73-103-101-69-61-91(81-117(101)138(7,8)119(103)85-95)93-63-71-105-99-49-34-39-55-115(99)142(123(105)83-93,78-45-31-27-23-19-15-3)79-46-32-28-24-20-16-4/h33-42,47-75,80-89H,13-32,43-46,76-79H2,1-12H3.

What are the key properties of N-dibenzofuran-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-dibenzofuran-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 1909.69 g/mol, XLogP of 42.28, 35 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-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 171449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).