9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine

C167H156N4O4 — CID 146369436

About 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine

9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine (PubChem CID 146369436) has the molecular formula C167H156N4O4 and a molecular weight of 2283.11 g/mol. Its IUPAC name is 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine
• PubChem CID: 146369436
• Molecular Formula: C167H156N4O4
• Molecular Weight: 2283.11 g/mol
• Exact Mass: 2281.21
• IUPAC Name: 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(COCc6ccc(COCc7ccc(-n8c9ccccc9c9cc(-c%10ccc(N(c%11ccc%12c(c%11)C(CCCC)(CCCCC)c%11ccccc%11-%12)c%11ccc%12c(c%11)C(CCCCCCOc%11ccc(C=C)cc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)ccc98)cc7)cc6)cc5)cc4)c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C167H156N4O4/c1-7-13-39-103-165(102-16-10-4)153-55-34-28-49-141(153)145-95-87-135(111-157(145)165)169(137-89-97-147-143-51-30-36-57-155(143)167(159(147)113-137,129-46-25-22-26-47-129)105-41-18-20-43-107-175-139-92-70-119(12-6)71-93-139)131-84-74-125(75-85-131)127-77-99-163-151(109-127)149-53-32-38-59-161(149)171(163)133-80-66-123(67-81-133)117-173-115-121-62-60-120(61-63-121)114-172-116-122-64-78-132(79-65-122)170-160-58-37-31-52-148(160)150-108-126(76-98-162(150)170)124-72-82-130(83-73-124)168(134-86-94-144-140-48-27-33-54-152(140)164(100-14-8-2,101-15-9-3)156(144)110-134)136-88-96-146-142-50-29-35-56-154(142)166(158(146)112-136,128-44-23-21-24-45-128)104-40-17-19-42-106-174-138-90-68-118(11-5)69-91-138/h11-12,21-38,44-99,108-113H,5-10,13-20,39-43,100-107,114-117H2,1-4H3
• InChIKey: WUWWCBVUBOQNAO-UHFFFAOYSA-N
• XLogP: 45.25
• TPSA: 53.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 51
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2283.11
LogP ≤ 5	45.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine?

The IUPAC name of 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine (CID 146369436) is 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine.

What is the SMILES notation for 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine?

The canonical SMILES for 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(COCc6ccc(COCc7ccc(-n8c9ccccc9c9cc(-c%10ccc(N(c%11ccc%12c(c%11)C(CCCC)(CCCCC)c%11ccccc%11-%12)c%11ccc%12c(c%11)C(CCCCCCOc%11ccc(C=C)cc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)ccc98)cc7)cc6)cc5)cc4)c4ccc5c(c4)C(CCCC)(CCCC)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine?

The InChIKey is WUWWCBVUBOQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H156N4O4/c1-7-13-39-103-165(102-16-10-4)153-55-34-28-49-141(153)145-95-87-135(111-157(145)165)169(137-89-97-147-143-51-30-36-57-155(143)167(159(147)113-137,129-46-25-22-26-47-129)105-41-18-20-43-107-175-139-92-70-119(12-6)71-93-139)131-84-74-125(75-85-131)127-77-99-163-151(109-127)149-53-32-38-59-161(149)171(163)133-80-66-123(67-81-133)117-173-115-121-62-60-120(61-63-121)114-172-116-122-64-78-132(79-65-122)170-160-58-37-31-52-148(160)150-108-126(76-98-162(150)170)124-72-82-130(83-73-124)168(134-86-94-144-140-48-27-33-54-152(140)164(100-14-8-2,101-15-9-3)156(144)110-134)136-88-96-146-142-50-29-35-56-154(142)166(158(146)112-136,128-44-23-21-24-45-128)104-40-17-19-42-106-174-138-90-68-118(11-5)69-91-138/h11-12,21-38,44-99,108-113H,5-10,13-20,39-43,100-107,114-117H2,1-4H3.

What are the key properties of 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine?

9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine has a molecular weight of 2283.11 g/mol, XLogP of 45.25, 51 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dibutyl-N-[4-[9-[4-[[4-[[4-[3-[4-[(9-butyl-9-pentylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]fluoren-2-amine is sourced from PubChem (CID 146369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).