9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole

C306H232O8 — CID 164977187

IUPAC9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cccc(C4(c5cccc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1.CC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)cccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c(-c8cccc(-c9ccccc9)c8)cccc65)OCO7)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1
InChIInChI=1S/C90H82O2.C86H58O2.C68H50O2.C62H42O2/c1-86(2,3)73-38-30-59(31-39-73)67-47-68(60-32-40-74(41-33-60)87(4,5)6)50-71(49-67)64-23-17-26-77(53-64)90(81-29-19-28-79(66-25-16-22-63(46-66)58-20-14-13-15-21-58)85(81)80-55-83-84(56-82(80)90)92-57-91-83)78-27-18-24-65(54-78)72-51-69(61-34-42-75(43-35-61)88(7,8)9)48-70(52-72)62-36-44-76(45-37-62)89(10,11)12;1-6-22-58(23-7-1)63-32-18-39-70(46-63)79-42-21-43-81-85(79)80-55-83-84(88-57-87-83)56-82(80)86(81,77-40-19-37-68(53-77)64-33-16-35-66(44-64)75-49-71(59-24-8-2-9-25-59)47-72(50-75)60-26-10-3-11-27-60)78-41-20-38-69(54-78)65-34-17-36-67(45-65)76-51-73(61-28-12-4-13-29-61)48-74(52-76)62-30-14-5-15-31-62;1-66(2)55-31-10-8-26-52(55)63-50(28-15-33-57(63)66)45-22-13-24-47(37-45)68(48-25-14-23-46(38-48)51-29-16-34-58-64(51)53-27-9-11-32-56(53)67(58,3)4)59-35-17-30-49(44-21-12-20-43(36-44)42-18-6-5-7-19-42)65(59)54-39-61-62(40-60(54)68)70-41-69-61;1-4-16-42(17-5-1)45-22-10-25-48(34-45)50-27-13-30-53(37-50)62(54-31-14-28-51(38-54)49-26-11-23-46(35-49)43-18-6-2-7-19-43)57-33-15-32-55(52-29-12-24-47(36-52)44-20-8-3-9-21-44)61(57)56-39-59-60(40-58(56)62)64-41-63-59/h13-56H,57H2,1-12H3;1-56H,57H2;5-40H,41H2,1-4H3;1-40H,41H2
InChIKeyDYLTWYVTYVDQRY-UHFFFAOYSA-N
MW4037.21 g/mol
LogP79.59
Rot. Bonds36

About 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole

9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole (PubChem CID 164977187) has the molecular formula C306H232O8 and a molecular weight of 4037.21 g/mol. Its IUPAC name is 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole.

Molecular Properties

Compound Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
PubChem CID164977187
Molecular FormulaC306H232O8
Molecular Weight4037.21 g/mol
Exact Mass4033.77
IUPAC Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cccc(C4(c5cccc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1.CC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)cccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c(-c8cccc(-c9ccccc9)c8)cccc65)OCO7)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1
InChIInChI=1S/C90H82O2.C86H58O2.C68H50O2.C62H42O2/c1-86(2,3)73-38-30-59(31-39-73)67-47-68(60-32-40-74(41-33-60)87(4,5)6)50-71(49-67)64-23-17-26-77(53-64)90(81-29-19-28-79(66-25-16-22-63(46-66)58-20-14-13-15-21-58)85(81)80-55-83-84(56-82(80)90)92-57-91-83)78-27-18-24-65(54-78)72-51-69(61-34-42-75(43-35-61)88(7,8)9)48-70(52-72)62-36-44-76(45-37-62)89(10,11)12;1-6-22-58(23-7-1)63-32-18-39-70(46-63)79-42-21-43-81-85(79)80-55-83-84(88-57-87-83)56-82(80)86(81,77-40-19-37-68(53-77)64-33-16-35-66(44-64)75-49-71(59-24-8-2-9-25-59)47-72(50-75)60-26-10-3-11-27-60)78-41-20-38-69(54-78)65-34-17-36-67(45-65)76-51-73(61-28-12-4-13-29-61)48-74(52-76)62-30-14-5-15-31-62;1-66(2)55-31-10-8-26-52(55)63-50(28-15-33-57(63)66)45-22-13-24-47(37-45)68(48-25-14-23-46(38-48)51-29-16-34-58-64(51)53-27-9-11-32-56(53)67(58,3)4)59-35-17-30-49(44-21-12-20-43(36-44)42-18-6-5-7-19-42)65(59)54-39-61-62(40-60(54)68)70-41-69-61;1-4-16-42(17-5-1)45-22-10-25-48(34-45)50-27-13-30-53(37-50)62(54-31-14-28-51(38-54)49-26-11-23-46(35-49)43-18-6-2-7-19-43)57-33-15-32-55(52-29-12-24-47(36-52)44-20-8-3-9-21-44)61(57)56-39-59-60(40-58(56)62)64-41-63-59/h13-56H,57H2,1-12H3;1-56H,57H2;5-40H,41H2,1-4H3;1-40H,41H2
InChIKeyDYLTWYVTYVDQRY-UHFFFAOYSA-N
XLogP79.59
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms314
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004037.21
LogP ≤ 579.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole?
The IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole (CID 164977187) is 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole.
What is the SMILES notation for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole?
The canonical SMILES for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cccc(C4(c5cccc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1.CC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)cccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c(-c8cccc(-c9ccccc9)c8)cccc65)OCO7)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5cc6c(cc5-c5c(-c7cccc(-c8ccccc8)c7)cccc54)OCO6)c3)c2)cc1.
What is the InChIKey of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole?
The InChIKey is DYLTWYVTYVDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H82O2.C86H58O2.C68H50O2.C62H42O2/c1-86(2,3)73-38-30-59(31-39-73)67-47-68(60-32-40-74(41-33-60)87(4,5)6)50-71(49-67)64-23-17-26-77(53-64)90(81-29-19-28-79(66-25-16-22-63(46-66)58-20-14-13-15-21-58)85(81)80-55-83-84(56-82(80)90)92-57-91-83)78-27-18-24-65(54-78)72-51-69(61-34-42-75(43-35-61)88(7,8)9)48-70(52-72)62-36-44-76(45-37-62)89(10,11)12;1-6-22-58(23-7-1)63-32-18-39-70(46-63)79-42-21-43-81-85(79)80-55-83-84(88-57-87-83)56-82(80)86(81,77-40-19-37-68(53-77)64-33-16-35-66(44-64)75-49-71(59-24-8-2-9-25-59)47-72(50-75)60-26-10-3-11-27-60)78-41-20-38-69(54-78)65-34-17-36-67(45-65)76-51-73(61-28-12-4-13-29-61)48-74(52-76)62-30-14-5-15-31-62;1-66(2)55-31-10-8-26-52(55)63-50(28-15-33-57(63)66)45-22-13-24-47(37-45)68(48-25-14-23-46(38-48)51-29-16-34-58-64(51)53-27-9-11-32-56(53)67(58,3)4)59-35-17-30-49(44-21-12-20-43(36-44)42-18-6-5-7-19-42)65(59)54-39-61-62(40-60(54)68)70-41-69-61;1-4-16-42(17-5-1)45-22-10-25-48(34-45)50-27-13-30-53(37-50)62(54-31-14-28-51(38-54)49-26-11-23-46(35-49)43-18-6-2-7-19-43)57-33-15-32-55(52-29-12-24-47(36-52)44-20-8-3-9-21-44)61(57)56-39-59-60(40-58(56)62)64-41-63-59/h13-56H,57H2,1-12H3;1-56H,57H2;5-40H,41H2,1-4H3;1-40H,41H2.
What are the key properties of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole?
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole has a molecular weight of 4037.21 g/mol, XLogP of 79.59, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole is sourced from PubChem (CID 164977187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).