N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine

C218H186N4O4 — CID 161313035

About N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine (PubChem CID 161313035) has the molecular formula C218H186N4O4 and a molecular weight of 2925.91 g/mol. Its IUPAC name is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine
• PubChem CID: 161313035
• Molecular Formula: C218H186N4O4
• Molecular Weight: 2925.91 g/mol
• Exact Mass: 2923.45
• IUPAC Name: N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)cc1.C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccc8ccccc8c6)c6ccccc6-7)c6ccc7c(ccc8ccccc87)c6)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
• InChI: InChI=1S/C110H90N2O2.C108H96N2O2/c1-3-77-38-60-95(61-39-77)113-70-24-7-5-22-68-109(87-30-10-9-11-31-87)105-36-20-18-34-101(105)103-66-58-93(75-107(103)109)111(91-56-64-99-85(73-91)44-42-82-27-14-16-32-97(82)99)89-52-47-80(48-53-89)81-49-54-90(55-50-81)112(92-57-65-100-86(74-92)45-43-83-28-15-17-33-98(83)100)94-59-67-104-102-35-19-21-37-106(102)110(108(104)76-94,88-51-46-79-26-12-13-29-84(79)72-88)69-23-6-8-25-71-114-96-62-40-78(4-2)41-63-96;1-7-75-43-59-87(60-44-75)111-69-29-11-9-27-67-107(79-31-15-13-16-32-79)99-41-25-21-37-91(99)95-65-57-85(73-103(95)107)109(83-55-63-93-89-35-19-23-39-97(89)105(3,4)101(93)71-83)81-51-47-77(48-52-81)78-49-53-82(54-50-78)110(84-56-64-94-90-36-20-24-40-98(90)106(5,6)102(94)72-84)86-58-66-96-92-38-22-26-42-100(92)108(104(96)74-86,80-33-17-14-18-34-80)68-28-10-12-30-70-112-88-61-45-76(8-2)46-62-88/h3-4,9-21,26-67,72-76H,1-2,5-8,22-25,68-71H2;7-8,13-26,31-66,71-74H,1-2,9-12,27-30,67-70H2,3-6H3
• InChIKey: VJDIAIKUTKLKGL-UHFFFAOYSA-N
• XLogP: 58.91
• TPSA: 49.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 54
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2925.91
LogP ≤ 5	58.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine?

The IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine (CID 161313035) is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine.

What is the SMILES notation for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine?

The canonical SMILES for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccccc6)c6ccccc6-7)cc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)cc1.C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(CCCCCCOc6ccc(C=C)cc6)(c6ccc8ccccc8c6)c6ccccc6-7)c6ccc7c(ccc8ccccc87)c6)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.

What is the InChIKey of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine?

The InChIKey is VJDIAIKUTKLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H90N2O2.C108H96N2O2/c1-3-77-38-60-95(61-39-77)113-70-24-7-5-22-68-109(87-30-10-9-11-31-87)105-36-20-18-34-101(105)103-66-58-93(75-107(103)109)111(91-56-64-99-85(73-91)44-42-82-27-14-16-32-97(82)99)89-52-47-80(48-53-89)81-49-54-90(55-50-81)112(92-57-65-100-86(74-92)45-43-83-28-15-17-33-98(83)100)94-59-67-104-102-35-19-21-37-106(102)110(108(104)76-94,88-51-46-79-26-12-13-29-84(79)72-88)69-23-6-8-25-71-114-96-62-40-78(4-2)41-63-96;1-7-75-43-59-87(60-44-75)111-69-29-11-9-27-67-107(79-31-15-13-16-32-79)99-41-25-21-37-91(99)95-65-57-85(73-103(95)107)109(83-55-63-93-89-35-19-23-39-97(89)105(3,4)101(93)71-83)81-51-47-77(48-52-81)78-49-53-82(54-50-78)110(84-56-64-94-90-36-20-24-40-98(90)106(5,6)102(94)72-84)86-58-66-96-92-38-22-26-42-100(92)108(104(96)74-86,80-33-17-14-18-34-80)68-28-10-12-30-70-112-88-61-45-76(8-2)46-62-88/h3-4,9-21,26-67,72-76H,1-2,5-8,22-25,68-71H2;7-8,13-26,31-66,71-74H,1-2,9-12,27-30,67-70H2,3-6H3.

What are the key properties of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine?

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine has a molecular weight of 2925.91 g/mol, XLogP of 58.91, 54 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]amino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[[9-[6-(4-ethenylphenoxy)hexyl]-9-naphthalen-2-ylfluoren-2-yl]-phenanthren-2-ylamino]phenyl]phenyl]-N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenanthren-2-amine is sourced from PubChem (CID 161313035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).