2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline

C114H140N2 — CID 90394829

About 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline

2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline (PubChem CID 90394829) has the molecular formula C114H140N2 and a molecular weight of 1538.39 g/mol. Its IUPAC name is 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

• Compound Name: 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline
• PubChem CID: 90394829
• Molecular Formula: C114H140N2
• Molecular Weight: 1538.39 g/mol
• Exact Mass: 1537.10
• IUPAC Name: 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline
• SMILES: CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c3cc(-c5cc(/C=C/c6ccc7ccccc7n6)c(-c6ccccc6)cc5/C=C/c5ccc6ccccc6n5)ccc3-4)cc21
• InChI: InChI=1S/C114H140N2/c1-5-9-13-17-21-25-29-33-37-51-79-113(80-52-38-34-30-26-22-18-14-10-6-2)107-85-93(89-55-43-41-44-56-89)67-75-101(107)102-76-68-94(86-108(102)113)95-69-77-103-104-78-70-98(88-110(104)114(109(103)87-95,81-53-39-35-31-27-23-19-15-11-7-3)82-54-40-36-32-28-24-20-16-12-8-4)106-84-96(65-73-99-71-63-91-59-47-49-61-111(91)115-99)105(90-57-45-42-46-58-90)83-97(106)66-74-100-72-64-92-60-48-50-62-112(92)116-100/h41-50,55-78,83-88H,5-40,51-54,79-82H2,1-4H3/b73-65+,74-66+
• InChIKey: NMDVAUDICHTPCB-UVJVXERNSA-N
• XLogP: 35.57
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 52
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1538.39
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline?

The IUPAC name of 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline (CID 90394829) is 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline.

What is the SMILES notation for 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline?

The canonical SMILES for 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c3cc(-c5cc(/C=C/c6ccc7ccccc7n6)c(-c6ccccc6)cc5/C=C/c5ccc6ccccc6n5)ccc3-4)cc21.

What is the InChIKey of 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline?

The InChIKey is NMDVAUDICHTPCB-UVJVXERNSA-N. The full InChI is InChI=1S/C114H140N2/c1-5-9-13-17-21-25-29-33-37-51-79-113(80-52-38-34-30-26-22-18-14-10-6-2)107-85-93(89-55-43-41-44-56-89)67-75-101(107)102-76-68-94(86-108(102)113)95-69-77-103-104-78-70-98(88-110(104)114(109(103)87-95,81-53-39-35-31-27-23-19-15-11-7-3)82-54-40-36-32-28-24-20-16-12-8-4)106-84-96(65-73-99-71-63-91-59-47-49-61-111(91)115-99)105(90-57-45-42-46-58-90)83-97(106)66-74-100-72-64-92-60-48-50-62-112(92)116-100/h41-50,55-78,83-88H,5-40,51-54,79-82H2,1-4H3/b73-65+,74-66+.

What are the key properties of 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline?

2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline has a molecular weight of 1538.39 g/mol, XLogP of 35.57, 52 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 90394829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).