9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene

C114H118 — CID 20724597

IUPAC9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)cc21
InChIInChI=1S/C114H118/c1-9-17-65-111(66-18-10-2)101-45-33-29-37-87(101)91-61-49-79(75-105(91)111)73-99(85-59-63-93-89-39-31-35-47-103(89)113(69-21-13-5,70-22-14-6)107(93)77-85)81-51-55-83(56-52-81)109-95-41-25-27-43-97(95)110(98-44-28-26-42-96(98)109)84-57-53-82(54-58-84)100(86-60-64-94-90-40-32-36-48-104(90)114(71-23-15-7,72-24-16-8)108(94)78-86)74-80-50-62-92-88-38-30-34-46-102(88)112(67-19-11-3,68-20-12-4)106(92)76-80/h25-64,73-78H,9-24,65-72H2,1-8H3/b99-73-,100-74-
InChIKeyWCYVISJAMBHDPB-NVOIHKJYSA-N
MW1488.20 g/mol
LogP33.09
Rot. Bonds32

About 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene

9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene (PubChem CID 20724597) has the molecular formula C114H118 and a molecular weight of 1488.20 g/mol. Its IUPAC name is 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene
PubChem CID20724597
Molecular FormulaC114H118
Molecular Weight1488.20 g/mol
Exact Mass1486.92
IUPAC Name9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)cc21
InChIInChI=1S/C114H118/c1-9-17-65-111(66-18-10-2)101-45-33-29-37-87(101)91-61-49-79(75-105(91)111)73-99(85-59-63-93-89-39-31-35-47-103(89)113(69-21-13-5,70-22-14-6)107(93)77-85)81-51-55-83(56-52-81)109-95-41-25-27-43-97(95)110(98-44-28-26-42-96(98)109)84-57-53-82(54-58-84)100(86-60-64-94-90-40-32-36-48-104(90)114(71-23-15-7,72-24-16-8)108(94)78-86)74-80-50-62-92-88-38-30-34-46-102(88)112(67-19-11-3,68-20-12-4)106(92)76-80/h25-64,73-78H,9-24,65-72H2,1-8H3/b99-73-,100-74-
InChIKeyWCYVISJAMBHDPB-NVOIHKJYSA-N
XLogP33.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.20
LogP ≤ 533.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;9,10-bis[4-[(Z)-1-[9,9-bis(4-methoxyphenyl)fluoren-2-yl]-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene;2',7'-ditert-butyl-2-[(Z)-1-[4-[10-[4-[(Z)-1-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-2-phenylethenyl]phenyl]anthracen-9-yl]phenyl]-2-phenylethenyl]-9,9'-spirobi[fluorene]
CID 160731548
9,10-bis[4-[(E)-2-[9-butyl-9-(4-tert-butylphenyl)fluoren-2-yl]-1-phenylethenyl]phenyl]anthracene
CID 20724612
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
2-ethenyl-9,9-dihexylfluorene
CID 86189845
1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one
CID 155647575
9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene?
The IUPAC name of 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene (CID 20724597) is 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene is CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3ccccc3-4)cc21.
What is the InChIKey of 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene?
The InChIKey is WCYVISJAMBHDPB-NVOIHKJYSA-N. The full InChI is InChI=1S/C114H118/c1-9-17-65-111(66-18-10-2)101-45-33-29-37-87(101)91-61-49-79(75-105(91)111)73-99(85-59-63-93-89-39-31-35-47-103(89)113(69-21-13-5,70-22-14-6)107(93)77-85)81-51-55-83(56-52-81)109-95-41-25-27-43-97(95)110(98-44-28-26-42-96(98)109)84-57-53-82(54-58-84)100(86-60-64-94-90-40-32-36-48-104(90)114(71-23-15-7,72-24-16-8)108(94)78-86)74-80-50-62-92-88-38-30-34-46-102(88)112(67-19-11-3,68-20-12-4)106(92)76-80/h25-64,73-78H,9-24,65-72H2,1-8H3/b99-73-,100-74-.
What are the key properties of 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene?
9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene has a molecular weight of 1488.20 g/mol, XLogP of 33.09, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-[(Z)-1,2-bis(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 20724597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).