10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one

C388H412N2O6S5 — CID 160937949

IUPAC10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(-c%12ccc(-c%13ccc(-c%14ccc(C)s%14)c%14nsnc%13%14)s%12)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(-c%14ccc(C)cc%14)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(C)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1
InChIInChI=1S/C111H114O.C105H106N2OS4.C100H118O3S.C72H74O/c1-10-52-107-62-18-64-108(53-11-2,65-19-63-107)111(107)100-69-85(80-24-20-74(7)21-25-80)41-48-94(100)95-49-43-87(70-101(95)111)83-38-32-79(33-39-83)78-30-36-82(37-31-78)86-42-47-92-93-51-45-89(72-99(93)110(98(92)68-86)105(12-3)58-16-60-106(110,13-4)61-17-59-105)88-44-50-91-90-46-40-84(67-96(90)109(97(91)71-88)103(8)54-14-56-104(109,9)57-15-55-103)81-34-28-77(29-35-81)76-26-22-75(23-27-76)66-102(112)73(5)6;1-10-44-101-54-18-56-102(45-11-2,57-19-55-101)105(101)87-62-72(28-34-79(87)80-36-30-74(64-88(80)105)92-42-43-94(111-92)82-38-37-81(93-39-20-66(7)109-93)95-96(82)107-112-106-95)71-27-33-78-77-32-26-70(60-85(77)104(86(78)61-71)99(12-3)50-16-52-100(104,13-4)53-17-51-99)69-25-31-75-76-35-29-73(91-41-40-90(110-91)68-23-21-67(22-24-68)58-89(108)65(5)6)63-84(76)103(83(75)59-69)97(8)46-14-48-98(103,9)49-15-47-97;1-10-46-96-56-26-58-97(47-11-2,59-27-57-96)100(96)83-62-69(7)28-38-77(83)80-40-32-74(66-88(80)100)73-34-42-82-81-41-33-72(64-86(81)99(87(82)65-73)94(12-3)52-24-54-95(99,13-4)55-25-53-94)71-31-39-78-79-43-35-75(67-85(79)98(84(78)63-71)92(8)48-22-50-93(98,9)51-23-49-92)90-45-44-89(104-90)70-29-36-76(37-30-70)102-60-20-18-16-14-15-17-19-21-61-103-91(101)68(5)6;1-8-69-38-12-40-70(9-2,41-13-39-69)72(69)64-44-55(52-18-14-48(5)15-19-52)27-31-60(64)61-33-29-57(46-65(61)72)56-28-32-59-58-30-26-54(43-62(58)71(63(59)45-56)67(6)34-10-36-68(71,7)37-11-35-67)53-24-22-51(23-25-53)50-20-16-49(17-21-50)42-66(73)47(3)4/h20-51,67-72H,5,10-19,52-66H2,1-4,6-9H3;20-43,59-64H,5,10-19,44-58H2,1-4,6-9H3;28-45,62-67H,5,10-27,46-61H2,1-4,6-9H3;14-33,43-46H,3,8-13,34-42H2,1-2,4-7H3
InChIKeySUCWGHVWZWJAHY-UHFFFAOYSA-N
MW5359.91 g/mol
LogP109.50
Rot. Bonds64

About 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one

10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one (PubChem CID 160937949) has the molecular formula C388H412N2O6S5 and a molecular weight of 5359.91 g/mol. Its IUPAC name is 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one
PubChem CID160937949
Molecular FormulaC388H412N2O6S5
Molecular Weight5359.91 g/mol
Exact Mass5355.06
IUPAC Name10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(-c%12ccc(-c%13ccc(-c%14ccc(C)s%14)c%14nsnc%13%14)s%12)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(-c%14ccc(C)cc%14)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(C)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1
InChIInChI=1S/C111H114O.C105H106N2OS4.C100H118O3S.C72H74O/c1-10-52-107-62-18-64-108(53-11-2,65-19-63-107)111(107)100-69-85(80-24-20-74(7)21-25-80)41-48-94(100)95-49-43-87(70-101(95)111)83-38-32-79(33-39-83)78-30-36-82(37-31-78)86-42-47-92-93-51-45-89(72-99(93)110(98(92)68-86)105(12-3)58-16-60-106(110,13-4)61-17-59-105)88-44-50-91-90-46-40-84(67-96(90)109(97(91)71-88)103(8)54-14-56-104(109,9)57-15-55-103)81-34-28-77(29-35-81)76-26-22-75(23-27-76)66-102(112)73(5)6;1-10-44-101-54-18-56-102(45-11-2,57-19-55-101)105(101)87-62-72(28-34-79(87)80-36-30-74(64-88(80)105)92-42-43-94(111-92)82-38-37-81(93-39-20-66(7)109-93)95-96(82)107-112-106-95)71-27-33-78-77-32-26-70(60-85(77)104(86(78)61-71)99(12-3)50-16-52-100(104,13-4)53-17-51-99)69-25-31-75-76-35-29-73(91-41-40-90(110-91)68-23-21-67(22-24-68)58-89(108)65(5)6)63-84(76)103(83(75)59-69)97(8)46-14-48-98(103,9)49-15-47-97;1-10-46-96-56-26-58-97(47-11-2,59-27-57-96)100(96)83-62-69(7)28-38-77(83)80-40-32-74(66-88(80)100)73-34-42-82-81-41-33-72(64-86(81)99(87(82)65-73)94(12-3)52-24-54-95(99,13-4)55-25-53-94)71-31-39-78-79-43-35-75(67-85(79)98(84(78)63-71)92(8)48-22-50-93(98,9)51-23-49-92)90-45-44-89(104-90)70-29-36-76(37-30-70)102-60-20-18-16-14-15-17-19-21-61-103-91(101)68(5)6;1-8-69-38-12-40-70(9-2,41-13-39-69)72(69)64-44-55(52-18-14-48(5)15-19-52)27-31-60(64)61-33-29-57(46-65(61)72)56-28-32-59-58-30-26-54(43-62(58)71(63(59)45-56)67(6)34-10-36-68(71,7)37-11-35-67)53-24-22-51(23-25-53)50-20-16-49(17-21-50)42-66(73)47(3)4/h20-51,67-72H,5,10-19,52-66H2,1-4,6-9H3;20-43,59-64H,5,10-19,44-58H2,1-4,6-9H3;28-45,62-67H,5,10-27,46-61H2,1-4,6-9H3;14-33,43-46H,3,8-13,34-42H2,1-2,4-7H3
InChIKeySUCWGHVWZWJAHY-UHFFFAOYSA-N
XLogP109.50
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds64
Heavy Atoms401
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005359.91
LogP ≤ 5109.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one?
The IUPAC name of 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one (CID 160937949) is 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one.
What is the SMILES notation for 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one?
The canonical SMILES for 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one is C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(-c%12ccc(-c%13ccc(-c%14ccc(C)s%14)c%14nsnc%13%14)s%12)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(-c%14ccc(C)cc%14)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(C)cc9)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(CCC)CCCC9(CCC)CCC%10)ccc8-7)C7(CC)CCCC6(CC)CCC7)ccc5-4)C4(C)CCCC3(C)CCC4)s2)cc1.
What is the InChIKey of 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one?
The InChIKey is SUCWGHVWZWJAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H114O.C105H106N2OS4.C100H118O3S.C72H74O/c1-10-52-107-62-18-64-108(53-11-2,65-19-63-107)111(107)100-69-85(80-24-20-74(7)21-25-80)41-48-94(100)95-49-43-87(70-101(95)111)83-38-32-79(33-39-83)78-30-36-82(37-31-78)86-42-47-92-93-51-45-89(72-99(93)110(98(92)68-86)105(12-3)58-16-60-106(110,13-4)61-17-59-105)88-44-50-91-90-46-40-84(67-96(90)109(97(91)71-88)103(8)54-14-56-104(109,9)57-15-55-103)81-34-28-77(29-35-81)76-26-22-75(23-27-76)66-102(112)73(5)6;1-10-44-101-54-18-56-102(45-11-2,57-19-55-101)105(101)87-62-72(28-34-79(87)80-36-30-74(64-88(80)105)92-42-43-94(111-92)82-38-37-81(93-39-20-66(7)109-93)95-96(82)107-112-106-95)71-27-33-78-77-32-26-70(60-85(77)104(86(78)61-71)99(12-3)50-16-52-100(104,13-4)53-17-51-99)69-25-31-75-76-35-29-73(91-41-40-90(110-91)68-23-21-67(22-24-68)58-89(108)65(5)6)63-84(76)103(83(75)59-69)97(8)46-14-48-98(103,9)49-15-47-97;1-10-46-96-56-26-58-97(47-11-2,59-27-57-96)100(96)83-62-69(7)28-38-77(83)80-40-32-74(66-88(80)100)73-34-42-82-81-41-33-72(64-86(81)99(87(82)65-73)94(12-3)52-24-54-95(99,13-4)55-25-53-94)71-31-39-78-79-43-35-75(67-85(79)98(84(78)63-71)92(8)48-22-50-93(98,9)51-23-49-92)90-45-44-89(104-90)70-29-36-76(37-30-70)102-60-20-18-16-14-15-17-19-21-61-103-91(101)68(5)6;1-8-69-38-12-40-70(9-2,41-13-39-69)72(69)64-44-55(52-18-14-48(5)15-19-52)27-31-60(64)61-33-29-57(46-65(61)72)56-28-32-59-58-30-26-54(43-62(58)71(63(59)45-56)67(6)34-10-36-68(71,7)37-11-35-67)53-24-22-51(23-25-53)50-20-16-49(17-21-50)42-66(73)47(3)4/h20-51,67-72H,5,10-19,52-66H2,1-4,6-9H3;20-43,59-64H,5,10-19,44-58H2,1-4,6-9H3;28-45,62-67H,5,10-27,46-61H2,1-4,6-9H3;14-33,43-46H,3,8-13,34-42H2,1-2,4-7H3.
What are the key properties of 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one?
10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one has a molecular weight of 5359.91 g/mol, XLogP of 109.50, 64 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-[7'-[1,5-diethyl-7'-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]decyl 2-methylprop-2-enoate;1-[4-[4-[7'-[1,5-diethyl-7'-[4-[4-[7'-(4-methylphenyl)-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[4-[7'-[1,5-diethyl-7'-(4-methylphenyl)spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]phenyl]phenyl]-3-methylbut-3-en-2-one;1-[4-[5-[7'-[1,5-diethyl-7'-[7'-[5-[7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-1,5-dimethylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]thiophen-2-yl]phenyl]-3-methylbut-3-en-2-one is sourced from PubChem (CID 160937949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).