N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine

C133H114N4O4 — CID 146369327

About N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine (PubChem CID 146369327) has the molecular formula C133H114N4O4 and a molecular weight of 1832.40 g/mol. Its IUPAC name is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine
• PubChem CID: 146369327
• Molecular Formula: C133H114N4O4
• Molecular Weight: 1832.40 g/mol
• Exact Mass: 1830.88
• IUPAC Name: N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(COCc5ccc6c(c5)C(C)(C)c5cc(COCc7ccc(-n8c9ccccc9c9cc(N(c%10ccccc%10)c%10ccc%11c(c%10)C(CCCCCCOc%10ccc(C=C)cc%10)(c%10ccccc%10)c%10ccccc%10-%11)ccc98)cc7)ccc5-6)cc4)cc32)cc1
• InChI: InChI=1S/C133H114N4O4/c1-5-93-55-69-109(70-56-93)140-81-33-9-7-31-79-132(99-35-15-11-16-36-99)121-47-27-23-43-111(121)115-75-65-107(87-125(115)132)134(101-39-19-13-20-40-101)105-67-77-129-119(85-105)117-45-25-29-49-127(117)136(129)103-61-51-95(52-62-103)89-138-91-97-59-73-113-114-74-60-98(84-124(114)131(3,4)123(113)83-97)92-139-90-96-53-63-104(64-54-96)137-128-50-30-26-46-118(128)120-86-106(68-78-130(120)137)135(102-41-21-14-22-42-102)108-66-76-116-112-44-24-28-48-122(112)133(126(116)88-108,100-37-17-12-18-38-100)80-32-8-10-34-82-141-110-71-57-94(6-2)58-72-110/h5-6,11-30,35-78,83-88H,1-2,7-10,31-34,79-82,89-92H2,3-4H3
• InChIKey: BDUCUBORIVNUKT-UHFFFAOYSA-N
• XLogP: 34.53
• TPSA: 53.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 36
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1832.40
LogP ≤ 5	34.53
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-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine?

The IUPAC name of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine (CID 146369327) is N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine.

What is the SMILES notation for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine?

The canonical SMILES for N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(COCc5ccc6c(c5)C(C)(C)c5cc(COCc7ccc(-n8c9ccccc9c9cc(N(c%10ccccc%10)c%10ccc%11c(c%10)C(CCCCCCOc%10ccc(C=C)cc%10)(c%10ccccc%10)c%10ccccc%10-%11)ccc98)cc7)ccc5-6)cc4)cc32)cc1.

What is the InChIKey of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine?

The InChIKey is BDUCUBORIVNUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H114N4O4/c1-5-93-55-69-109(70-56-93)140-81-33-9-7-31-79-132(99-35-15-11-16-36-99)121-47-27-23-43-111(121)115-75-65-107(87-125(115)132)134(101-39-19-13-20-40-101)105-67-77-129-119(85-105)117-45-25-29-49-127(117)136(129)103-61-51-95(52-62-103)89-138-91-97-59-73-113-114-74-60-98(84-124(114)131(3,4)123(113)83-97)92-139-90-96-53-63-104(64-54-96)137-128-50-30-26-46-118(128)120-86-106(68-78-130(120)137)135(102-41-21-14-22-42-102)108-66-76-116-112-44-24-28-48-122(112)133(126(116)88-108,100-37-17-12-18-38-100)80-32-8-10-34-82-141-110-71-57-94(6-2)58-72-110/h5-6,11-30,35-78,83-88H,1-2,7-10,31-34,79-82,89-92H2,3-4H3.

What are the key properties of N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine?

N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine has a molecular weight of 1832.40 g/mol, XLogP of 34.53, 36 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-[[7-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]-9,9-dimethylfluoren-2-yl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 146369327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).