N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine

C138H118N4O4 — CID 146369424

About N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine (PubChem CID 146369424) has the molecular formula C138H118N4O4 and a molecular weight of 1896.49 g/mol. Its IUPAC name is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine
• PubChem CID: 146369424
• Molecular Formula: C138H118N4O4
• Molecular Weight: 1896.49 g/mol
• Exact Mass: 1894.92
• IUPAC Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(C)c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(COCc5ccc(COCc6ccc(-n7c8ccccc8c8cc(N(c9ccc(-c%10cccc(C)c%10)cc9)c9ccc%10c(c9)C(CCCCCCOc9ccc(C=C)cc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C138H118N4O4/c1-5-99-55-75-119(76-56-99)145-85-27-9-7-25-83-137(109-35-13-11-14-36-109)129-43-21-17-39-121(129)123-79-71-117(91-131(123)137)139(111-67-59-105(60-68-111)107-33-29-31-97(3)87-107)115-73-81-135-127(89-115)125-41-19-23-45-133(125)141(135)113-63-51-103(52-64-113)95-143-93-101-47-49-102(50-48-101)94-144-96-104-53-65-114(66-54-104)142-134-46-24-20-42-126(134)128-90-116(74-82-136(128)142)140(112-69-61-106(62-70-112)108-34-30-32-98(4)88-108)118-72-80-124-122-40-18-22-44-130(122)138(132(124)92-118,110-37-15-12-16-38-110)84-26-8-10-28-86-146-120-77-57-100(6-2)58-78-120/h5-6,11-24,29-82,87-92H,1-2,7-10,25-28,83-86,93-96H2,3-4H3
• InChIKey: WITNYEPWHARUDJ-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 53.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 38
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1896.49
LogP ≤ 5	36.18
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 N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine?

The IUPAC name of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine (CID 146369424) is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine.

What is the SMILES notation for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine?

The canonical SMILES for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(C)c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(COCc5ccc(COCc6ccc(-n7c8ccccc8c8cc(N(c9ccc(-c%10cccc(C)c%10)cc9)c9ccc%10c(c9)C(CCCCCCOc9ccc(C=C)cc9)(c9ccccc9)c9ccccc9-%10)ccc87)cc6)cc5)cc4)cc32)cc1.

What is the InChIKey of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine?

The InChIKey is WITNYEPWHARUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H118N4O4/c1-5-99-55-75-119(76-56-99)145-85-27-9-7-25-83-137(109-35-13-11-14-36-109)129-43-21-17-39-121(129)123-79-71-117(91-131(123)137)139(111-67-59-105(60-68-111)107-33-29-31-97(3)87-107)115-73-81-135-127(89-115)125-41-19-23-45-133(125)141(135)113-63-51-103(52-64-113)95-143-93-101-47-49-102(50-48-101)94-144-96-104-53-65-114(66-54-104)142-134-46-24-20-42-126(134)128-90-116(74-82-136(128)142)140(112-69-61-106(62-70-112)108-34-30-32-98(4)88-108)118-72-80-124-122-40-18-22-44-130(122)138(132(124)92-118,110-37-15-12-16-38-110)84-26-8-10-28-86-146-120-77-57-100(6-2)58-78-120/h5-6,11-24,29-82,87-92H,1-2,7-10,25-28,83-86,93-96H2,3-4H3.

What are the key properties of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine?

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine has a molecular weight of 1896.49 g/mol, XLogP of 36.18, 38 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-[N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-4-(3-methylphenyl)anilino]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-[4-(3-methylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 146369424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).