10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)

C375H408O12S2 — CID 159844494

IUPAC10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)
SMILESC=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(C)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(C)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1
InChIInChI=1S/C110H120O3.2C91H100O3S.C83H88O3/c1-10-52-106-54-22-56-107(53-11-2,57-23-55-106)110(106)95-68-75(7)24-46-89(95)92-48-40-85(71-100(92)110)82-33-27-77(28-34-82)76-25-31-81(32-26-76)84-41-49-93-94-51-43-87(73-99(94)109(98(93)70-84)104(12-3)62-64-105(109,13-4)65-63-104)86-42-50-91-90-47-39-83(69-96(90)108(97(91)72-86)102(8)58-60-103(108,9)61-59-102)80-35-29-78(30-36-80)79-37-44-88(45-38-79)112-66-20-18-16-14-15-17-19-21-67-113-101(111)74(5)6;2*1-12-20-62-56-88(10)58-63(21-13-2)59-89(11,57-62)91(88)79-52-60(4)22-42-75(79)78-44-38-72(54-82(78)91)69-33-29-67(30-34-69)65-25-23-64(24-26-65)66-27-31-68(32-28-66)71-37-43-76-77-45-39-73(55-81(77)90(80(76)53-71)86(6,7)48-49-87(90,8)9)84-47-46-83(95-84)70-35-40-74(41-36-70)93-50-18-16-15-17-19-51-94-85(92)61(5)14-3;1-8-80-46-48-81(9-2,49-47-80)83(80)75-53-65(63-26-22-59(23-27-63)58-20-18-57(5)19-21-58)33-39-71(75)72-41-35-67(55-76(72)83)66-34-40-70-69-38-32-64(52-73(69)82(74(70)54-66)78(6)42-44-79(82,7)45-43-78)62-28-24-60(25-29-62)61-30-36-68(37-31-61)85-50-16-14-12-10-11-13-15-17-51-86-77(84)56(3)4/h24-51,68-73H,5,10-23,52-67H2,1-4,6-9H3;2*22-47,52-55,62-63H,5,12-21,48-51,56-59H2,1-4,6-11H3;18-41,52-55H,3,8-17,42-51H2,1-2,4-7H3
InChIKeyNPCVGXITWPMZEZ-UHFFFAOYSA-N
MW5171.51 g/mol
LogP104.22
Rot. Bonds87

About 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)

10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) (PubChem CID 159844494) has the molecular formula C375H408O12S2 and a molecular weight of 5171.51 g/mol. Its IUPAC name is 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate).

Molecular Properties

Compound Name10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)
PubChem CID159844494
Molecular FormulaC375H408O12S2
Molecular Weight5171.51 g/mol
Exact Mass5167.08
IUPAC Name10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)
SMILESC=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(C)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(C)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1
InChIInChI=1S/C110H120O3.2C91H100O3S.C83H88O3/c1-10-52-106-54-22-56-107(53-11-2,57-23-55-106)110(106)95-68-75(7)24-46-89(95)92-48-40-85(71-100(92)110)82-33-27-77(28-34-82)76-25-31-81(32-26-76)84-41-49-93-94-51-43-87(73-99(94)109(98(93)70-84)104(12-3)62-64-105(109,13-4)65-63-104)86-42-50-91-90-47-39-83(69-96(90)108(97(91)72-86)102(8)58-60-103(108,9)61-59-102)80-35-29-78(30-36-80)79-37-44-88(45-38-79)112-66-20-18-16-14-15-17-19-21-67-113-101(111)74(5)6;2*1-12-20-62-56-88(10)58-63(21-13-2)59-89(11,57-62)91(88)79-52-60(4)22-42-75(79)78-44-38-72(54-82(78)91)69-33-29-67(30-34-69)65-25-23-64(24-26-65)66-27-31-68(32-28-66)71-37-43-76-77-45-39-73(55-81(77)90(80(76)53-71)86(6,7)48-49-87(90,8)9)84-47-46-83(95-84)70-35-40-74(41-36-70)93-50-18-16-15-17-19-51-94-85(92)61(5)14-3;1-8-80-46-48-81(9-2,49-47-80)83(80)75-53-65(63-26-22-59(23-27-63)58-20-18-57(5)19-21-58)33-39-71(75)72-41-35-67(55-76(72)83)66-34-40-70-69-38-32-64(52-73(69)82(74(70)54-66)78(6)42-44-79(82,7)45-43-78)62-28-24-60(25-29-62)61-30-36-68(37-31-61)85-50-16-14-12-10-11-13-15-17-51-86-77(84)56(3)4/h24-51,68-73H,5,10-23,52-67H2,1-4,6-9H3;2*22-47,52-55,62-63H,5,12-21,48-51,56-59H2,1-4,6-11H3;18-41,52-55H,3,8-17,42-51H2,1-2,4-7H3
InChIKeyNPCVGXITWPMZEZ-UHFFFAOYSA-N
XLogP104.22
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds87
Heavy Atoms389
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005171.51
LogP ≤ 5104.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)?
The IUPAC name of 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) (CID 159844494) is 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate).
What is the SMILES notation for 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)?
The canonical SMILES for 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) is C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(-c%11ccc%12c(c%11)C%11(c%13cc(C)ccc%13-%12)C%12(CCC)CCCC%11(CCC)CCC%12)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(C)C(=O)OCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc7c(c6)C6(c8cc(-c9ccc(-c%10ccc(C)cc%10)cc9)ccc8-7)C7(CC)CCC6(CC)CC7)ccc5-4)C4(C)CCC3(C)CC4)cc2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1.C=C(CC)C(=O)OCCCCCCCOc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C9(c%11cc(C)ccc%11-%10)C%10(C)CC(CCC)CC9(C)CC(CCC)C%10)cc8)cc7)cc6)ccc5-4)C(C)(C)CCC3(C)C)s2)cc1.
What is the InChIKey of 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)?
The InChIKey is NPCVGXITWPMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H120O3.2C91H100O3S.C83H88O3/c1-10-52-106-54-22-56-107(53-11-2,57-23-55-106)110(106)95-68-75(7)24-46-89(95)92-48-40-85(71-100(92)110)82-33-27-77(28-34-82)76-25-31-81(32-26-76)84-41-49-93-94-51-43-87(73-99(94)109(98(93)70-84)104(12-3)62-64-105(109,13-4)65-63-104)86-42-50-91-90-47-39-83(69-96(90)108(97(91)72-86)102(8)58-60-103(108,9)61-59-102)80-35-29-78(30-36-80)79-37-44-88(45-38-79)112-66-20-18-16-14-15-17-19-21-67-113-101(111)74(5)6;2*1-12-20-62-56-88(10)58-63(21-13-2)59-89(11,57-62)91(88)79-52-60(4)22-42-75(79)78-44-38-72(54-82(78)91)69-33-29-67(30-34-69)65-25-23-64(24-26-65)66-27-31-68(32-28-66)71-37-43-76-77-45-39-73(55-81(77)90(80(76)53-71)86(6,7)48-49-87(90,8)9)84-47-46-83(95-84)70-35-40-74(41-36-70)93-50-18-16-15-17-19-51-94-85(92)61(5)14-3;1-8-80-46-48-81(9-2,49-47-80)83(80)75-53-65(63-26-22-59(23-27-63)58-20-18-57(5)19-21-58)33-39-71(75)72-41-35-67(55-76(72)83)66-34-40-70-69-38-32-64(52-73(69)82(74(70)54-66)78(6)42-44-79(82,7)45-43-78)62-28-24-60(25-29-62)61-30-36-68(37-31-61)85-50-16-14-12-10-11-13-15-17-51-86-77(84)56(3)4/h24-51,68-73H,5,10-23,52-67H2,1-4,6-9H3;2*22-47,52-55,62-63H,5,12-21,48-51,56-59H2,1-4,6-11H3;18-41,52-55H,3,8-17,42-51H2,1-2,4-7H3.
What are the key properties of 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate)?
10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) has a molecular weight of 5171.51 g/mol, XLogP of 104.22, 87 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[7'-[1,4-diethyl-7'-[4-[4-(7'-methyl-1,5-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;10-[4-[4-[7'-[1,4-diethyl-7'-[4-(4-methylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]-1,4-dimethylspiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-2'-yl]phenyl]phenoxy]decyl 2-methylprop-2-enoate;bis(7-[4-[5-[1,1,3,3-tetramethyl-7'-[4-[4-[4-(1,5,7'-trimethyl-3,7-dipropylspiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl)phenyl]phenyl]phenyl]spiro[cyclopentane-2,9'-fluorene]-2'-yl]thiophen-2-yl]phenoxy]heptyl 2-methylidenebutanoate) is sourced from PubChem (CID 159844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).