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]

C348H318O4 — CID 160731548

IUPAC9,10-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]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(/C(=C\c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccc(/C(=C/c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8cc(C(C)(C)C)ccc8-c8ccc(C(C)(C)C)cc87)cc6)c6ccccc56)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.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.CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OC)cc6)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3ccccc3-4)cc21
InChIInChI=1S/C126H110O4.C114H118.C108H90/c1-9-13-73-123(74-14-10-2)113-37-25-21-29-99(113)103-69-41-83(79-117(103)123)77-111(89-51-71-105-101-31-23-27-39-115(101)125(119(105)81-89,91-53-61-95(127-5)62-54-91)92-55-63-96(128-6)64-56-92)85-43-47-87(48-44-85)121-107-33-17-19-35-109(107)122(110-36-20-18-34-108(110)121)88-49-45-86(46-50-88)112(78-84-42-70-104-100-30-22-26-38-114(100)124(75-15-11-3,76-16-12-4)118(104)80-84)90-52-72-106-102-32-24-28-40-116(102)126(120(106)82-90,93-57-65-97(129-7)66-58-93)94-59-67-98(130-8)68-60-94;1-9-17-65-111(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;1-103(2,3)75-49-55-83-84-56-50-76(104(4,5)6)64-98(84)107(97(83)63-75)93-37-25-23-31-79(93)81-53-47-73(61-95(81)107)91(59-67-27-15-13-16-28-67)69-39-43-71(44-40-69)101-87-33-19-21-35-89(87)102(90-36-22-20-34-88(90)101)72-45-41-70(42-46-72)92(60-68-29-17-14-18-30-68)74-48-54-82-80-32-24-26-38-94(80)108(96(82)62-74)99-65-77(105(7,8)9)51-57-85(99)86-58-52-78(66-100(86)108)106(10,11)12/h17-72,77-82H,9-16,73-76H2,1-8H3;25-64,73-78H,9-24,65-72H2,1-8H3;13-66H,1-12H3/b111-77-,112-78-;99-73-,100-74-;91-59-,92-60-
InChIKeyRUKIGSOYDTYZGG-FWCJBUNMSA-N
MW4564.37 g/mol
LogP94.03
Rot. Bonds68

About 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]

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] (PubChem CID 160731548) has the molecular formula C348H318O4 and a molecular weight of 4564.37 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name9,10-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]
PubChem CID160731548
Molecular FormulaC348H318O4
Molecular Weight4564.37 g/mol
Exact Mass4560.47
IUPAC Name9,10-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]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(/C(=C\c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccc(/C(=C/c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8cc(C(C)(C)C)ccc8-c8ccc(C(C)(C)C)cc87)cc6)c6ccccc56)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.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.CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OC)cc6)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3ccccc3-4)cc21
InChIInChI=1S/C126H110O4.C114H118.C108H90/c1-9-13-73-123(74-14-10-2)113-37-25-21-29-99(113)103-69-41-83(79-117(103)123)77-111(89-51-71-105-101-31-23-27-39-115(101)125(119(105)81-89,91-53-61-95(127-5)62-54-91)92-55-63-96(128-6)64-56-92)85-43-47-87(48-44-85)121-107-33-17-19-35-109(107)122(110-36-20-18-34-108(110)121)88-49-45-86(46-50-88)112(78-84-42-70-104-100-30-22-26-38-114(100)124(75-15-11-3,76-16-12-4)118(104)80-84)90-52-72-106-102-32-24-28-40-116(102)126(120(106)82-90,93-57-65-97(129-7)66-58-93)94-59-67-98(130-8)68-60-94;1-9-17-65-111(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;1-103(2,3)75-49-55-83-84-56-50-76(104(4,5)6)64-98(84)107(97(83)63-75)93-37-25-23-31-79(93)81-53-47-73(61-95(81)107)91(59-67-27-15-13-16-28-67)69-39-43-71(44-40-69)101-87-33-19-21-35-89(87)102(90-36-22-20-34-88(90)101)72-45-41-70(42-46-72)92(60-68-29-17-14-18-30-68)74-48-54-82-80-32-24-26-38-94(80)108(96(82)62-74)99-65-77(105(7,8)9)51-57-85(99)86-58-52-78(66-100(86)108)106(10,11)12/h17-72,77-82H,9-16,73-76H2,1-8H3;25-64,73-78H,9-24,65-72H2,1-8H3;13-66H,1-12H3/b111-77-,112-78-;99-73-,100-74-;91-59-,92-60-
InChIKeyRUKIGSOYDTYZGG-FWCJBUNMSA-N
XLogP94.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds68
Heavy Atoms352
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004564.37
LogP ≤ 594.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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] with MolForge

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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;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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(/C(=C\c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccc(/C(=C/c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-8)c8cc(C(C)(C)C)ccc8-c8ccc(C(C)(C)C)cc87)cc6)c6ccccc56)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.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.CCCCC1(CCCC)c2ccccc2-c2ccc(/C=C(/c3ccc(-c4c5ccccc5c(-c5ccc(/C(=C/c6ccc7c(c6)C(CCCC)(CCCC)c6ccccc6-7)c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OC)cc6)c6ccccc6-7)cc5)c5ccccc45)cc3)c3ccc4c(c3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3ccccc3-4)cc21.
What is the InChIKey of 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]?
The InChIKey is RUKIGSOYDTYZGG-FWCJBUNMSA-N. The full InChI is InChI=1S/C126H110O4.C114H118.C108H90/c1-9-13-73-123(74-14-10-2)113-37-25-21-29-99(113)103-69-41-83(79-117(103)123)77-111(89-51-71-105-101-31-23-27-39-115(101)125(119(105)81-89,91-53-61-95(127-5)62-54-91)92-55-63-96(128-6)64-56-92)85-43-47-87(48-44-85)121-107-33-17-19-35-109(107)122(110-36-20-18-34-108(110)121)88-49-45-86(46-50-88)112(78-84-42-70-104-100-30-22-26-38-114(100)124(75-15-11-3,76-16-12-4)118(104)80-84)90-52-72-106-102-32-24-28-40-116(102)126(120(106)82-90,93-57-65-97(129-7)66-58-93)94-59-67-98(130-8)68-60-94;1-9-17-65-111(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;1-103(2,3)75-49-55-83-84-56-50-76(104(4,5)6)64-98(84)107(97(83)63-75)93-37-25-23-31-79(93)81-53-47-73(61-95(81)107)91(59-67-27-15-13-16-28-67)69-39-43-71(44-40-69)101-87-33-19-21-35-89(87)102(90-36-22-20-34-88(90)101)72-45-41-70(42-46-72)92(60-68-29-17-14-18-30-68)74-48-54-82-80-32-24-26-38-94(80)108(96(82)62-74)99-65-77(105(7,8)9)51-57-85(99)86-58-52-78(66-100(86)108)106(10,11)12/h17-72,77-82H,9-16,73-76H2,1-8H3;25-64,73-78H,9-24,65-72H2,1-8H3;13-66H,1-12H3/b111-77-,112-78-;99-73-,100-74-;91-59-,92-60-.
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-[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]?
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] has a molecular weight of 4564.37 g/mol, XLogP of 94.03, 68 rotatable bonds, 0 hydrogen bond donors, and 4 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;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] is sourced from PubChem (CID 160731548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).