5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

C464H334N14O8 — CID 157493728

IUPAC5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)c5c(oc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc21.Cc1ccc(-c2cc(C)cnc2N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccc(C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc(-c3ccccc3C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(oc5ccccc54)c2-3)cc1.Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3C)c3c(oc4ccccc43)c1-2)c1ccc2cc(-c3ccccc3)ccc2c1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C85H60N2O.C79H48N2O3.C77H66N4O.C77H52N2O.C75H56N2O.C71H52N2O/c1-83(2)68-36-18-11-31-60(68)64-46-43-55(49-72(64)83)86(76-40-22-15-29-58(76)53-25-7-5-8-26-53)56-45-48-66-74(51-56)85(70-38-20-13-33-62(70)63-34-14-21-39-71(63)85)75-52-78(81-67-35-17-24-42-79(67)88-82(81)80(66)75)87(77-41-23-16-30-59(77)54-27-9-6-10-28-54)57-44-47-65-61-32-12-19-37-69(61)84(3,4)73(65)50-57;1-3-23-49(24-4-1)52-27-9-16-38-66(52)80(68-40-21-34-58-56-31-11-18-42-71(56)82-76(58)68)51-45-46-60-64(47-51)79(62-36-14-7-29-54(62)55-30-8-15-37-63(55)79)65-48-70(75-61-33-13-20-44-73(61)84-78(75)74(60)65)81(67-39-17-10-28-53(67)50-25-5-2-6-26-50)69-41-22-35-59-57-32-12-19-43-72(57)83-77(59)69;1-47-23-27-51(28-24-47)62-41-49(3)45-78-73(62)80(55-35-31-53(32-36-55)75(5,6)7)57-39-40-60-66(43-57)77(64-20-14-11-17-58(64)59-18-12-15-21-65(59)77)67-44-68(71-61-19-13-16-22-69(61)82-72(71)70(60)67)81(56-37-33-54(34-38-56)76(8,9)10)74-63(42-50(4)46-79-74)52-29-25-48(2)26-30-52;1-49-19-9-16-30-70(49)78(59-39-37-55-43-53(33-35-57(55)45-59)51-21-5-3-6-22-51)61-41-42-64-68(47-61)77(66-28-14-11-25-62(66)63-26-12-15-29-67(63)77)69-48-72(75-65-27-13-18-32-73(65)80-76(75)74(64)69)79(71-31-17-10-20-50(71)2)60-40-38-56-44-54(34-36-58(56)46-60)52-23-7-4-8-24-52;1-45-27-31-47(32-28-45)76(49-35-38-56-52-17-7-12-22-60(52)73(3,4)64(56)41-49)50-37-40-58-66(43-50)75(62-24-14-9-19-54(62)55-20-10-15-25-63(55)75)67-44-68(71-59-21-11-16-26-69(59)78-72(71)70(58)67)77(48-33-29-46(2)30-34-48)51-36-39-57-53-18-8-13-23-61(53)74(5,6)65(57)42-51;1-45-25-33-51(34-26-45)72(52-37-29-49(30-38-52)56-17-7-5-15-47(56)3)55-41-42-60-64(43-55)71(62-22-12-9-19-58(62)59-20-10-13-23-63(59)71)65-44-66(69-61-21-11-14-24-67(61)74-70(69)68(60)65)73(53-35-27-46(2)28-36-53)54-39-31-50(32-40-54)57-18-8-6-16-48(57)4/h5-52H,1-4H3;1-48H;11-46H,1-10H3;3-48H,1-2H3;7-44H,1-6H3;5-44H,1-4H3
InChIKeyBXOOYEJYASHAQA-UHFFFAOYSA-N
MW6233.87 g/mol
LogP126.30
Rot. Bonds46

About 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (PubChem CID 157493728) has the molecular formula C464H334N14O8 and a molecular weight of 6233.87 g/mol. Its IUPAC name is 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.

Molecular Properties

Compound Name5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
PubChem CID157493728
Molecular FormulaC464H334N14O8
Molecular Weight6233.87 g/mol
Exact Mass6228.62
IUPAC Name5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)c5c(oc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc21.Cc1ccc(-c2cc(C)cnc2N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccc(C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc(-c3ccccc3C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(oc5ccccc54)c2-3)cc1.Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3C)c3c(oc4ccccc43)c1-2)c1ccc2cc(-c3ccccc3)ccc2c1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C85H60N2O.C79H48N2O3.C77H66N4O.C77H52N2O.C75H56N2O.C71H52N2O/c1-83(2)68-36-18-11-31-60(68)64-46-43-55(49-72(64)83)86(76-40-22-15-29-58(76)53-25-7-5-8-26-53)56-45-48-66-74(51-56)85(70-38-20-13-33-62(70)63-34-14-21-39-71(63)85)75-52-78(81-67-35-17-24-42-79(67)88-82(81)80(66)75)87(77-41-23-16-30-59(77)54-27-9-6-10-28-54)57-44-47-65-61-32-12-19-37-69(61)84(3,4)73(65)50-57;1-3-23-49(24-4-1)52-27-9-16-38-66(52)80(68-40-21-34-58-56-31-11-18-42-71(56)82-76(58)68)51-45-46-60-64(47-51)79(62-36-14-7-29-54(62)55-30-8-15-37-63(55)79)65-48-70(75-61-33-13-20-44-73(61)84-78(75)74(60)65)81(67-39-17-10-28-53(67)50-25-5-2-6-26-50)69-41-22-35-59-57-32-12-19-43-72(57)83-77(59)69;1-47-23-27-51(28-24-47)62-41-49(3)45-78-73(62)80(55-35-31-53(32-36-55)75(5,6)7)57-39-40-60-66(43-57)77(64-20-14-11-17-58(64)59-18-12-15-21-65(59)77)67-44-68(71-61-19-13-16-22-69(61)82-72(71)70(60)67)81(56-37-33-54(34-38-56)76(8,9)10)74-63(42-50(4)46-79-74)52-29-25-48(2)26-30-52;1-49-19-9-16-30-70(49)78(59-39-37-55-43-53(33-35-57(55)45-59)51-21-5-3-6-22-51)61-41-42-64-68(47-61)77(66-28-14-11-25-62(66)63-26-12-15-29-67(63)77)69-48-72(75-65-27-13-18-32-73(65)80-76(75)74(64)69)79(71-31-17-10-20-50(71)2)60-40-38-56-44-54(34-36-58(56)46-60)52-23-7-4-8-24-52;1-45-27-31-47(32-28-45)76(49-35-38-56-52-17-7-12-22-60(52)73(3,4)64(56)41-49)50-37-40-58-66(43-50)75(62-24-14-9-19-54(62)55-20-10-15-25-63(55)75)67-44-68(71-59-21-11-16-26-69(59)78-72(71)70(58)67)77(48-33-29-46(2)30-34-48)51-36-39-57-53-18-8-13-23-61(53)74(5,6)65(57)42-51;1-45-25-33-51(34-26-45)72(52-37-29-49(30-38-52)56-17-7-5-15-47(56)3)55-41-42-60-64(43-55)71(62-22-12-9-19-58(62)59-20-10-13-23-63(59)71)65-44-66(69-61-21-11-14-24-67(61)74-70(69)68(60)65)73(53-35-27-46(2)28-36-53)54-39-31-50(32-40-54)57-18-8-6-16-48(57)4/h5-52H,1-4H3;1-48H;11-46H,1-10H3;3-48H,1-2H3;7-44H,1-6H3;5-44H,1-4H3
InChIKeyBXOOYEJYASHAQA-UHFFFAOYSA-N
XLogP126.30
TPSA169.78 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms486
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006233.87
LogP ≤ 5126.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (CID 157493728) is 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.
What is the SMILES notation for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The canonical SMILES for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)c5c(oc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc21.Cc1ccc(-c2cc(C)cnc2N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccc(C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc(-c3ccccc3C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5C)cc4)c4c(oc5ccccc54)c2-3)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(oc5ccccc54)c2-3)cc1.Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccc4cc(-c5ccccc5)ccc4c3)c3ccccc3C)c3c(oc4ccccc43)c1-2)c1ccc2cc(-c3ccccc3)ccc2c1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The InChIKey is BXOOYEJYASHAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H60N2O.C79H48N2O3.C77H66N4O.C77H52N2O.C75H56N2O.C71H52N2O/c1-83(2)68-36-18-11-31-60(68)64-46-43-55(49-72(64)83)86(76-40-22-15-29-58(76)53-25-7-5-8-26-53)56-45-48-66-74(51-56)85(70-38-20-13-33-62(70)63-34-14-21-39-71(63)85)75-52-78(81-67-35-17-24-42-79(67)88-82(81)80(66)75)87(77-41-23-16-30-59(77)54-27-9-6-10-28-54)57-44-47-65-61-32-12-19-37-69(61)84(3,4)73(65)50-57;1-3-23-49(24-4-1)52-27-9-16-38-66(52)80(68-40-21-34-58-56-31-11-18-42-71(56)82-76(58)68)51-45-46-60-64(47-51)79(62-36-14-7-29-54(62)55-30-8-15-37-63(55)79)65-48-70(75-61-33-13-20-44-73(61)84-78(75)74(60)65)81(67-39-17-10-28-53(67)50-25-5-2-6-26-50)69-41-22-35-59-57-32-12-19-43-72(57)83-77(59)69;1-47-23-27-51(28-24-47)62-41-49(3)45-78-73(62)80(55-35-31-53(32-36-55)75(5,6)7)57-39-40-60-66(43-57)77(64-20-14-11-17-58(64)59-18-12-15-21-65(59)77)67-44-68(71-61-19-13-16-22-69(61)82-72(71)70(60)67)81(56-37-33-54(34-38-56)76(8,9)10)74-63(42-50(4)46-79-74)52-29-25-48(2)26-30-52;1-49-19-9-16-30-70(49)78(59-39-37-55-43-53(33-35-57(55)45-59)51-21-5-3-6-22-51)61-41-42-64-68(47-61)77(66-28-14-11-25-62(66)63-26-12-15-29-67(63)77)69-48-72(75-65-27-13-18-32-73(65)80-76(75)74(64)69)79(71-31-17-10-20-50(71)2)60-40-38-56-44-54(34-36-58(56)46-60)52-23-7-4-8-24-52;1-45-27-31-47(32-28-45)76(49-35-38-56-52-17-7-12-22-60(52)73(3,4)64(56)41-49)50-37-40-58-66(43-50)75(62-24-14-9-19-54(62)55-20-10-15-25-63(55)75)67-44-68(71-59-21-11-16-26-69(59)78-72(71)70(58)67)77(48-33-29-46(2)30-34-48)51-36-39-57-53-18-8-13-23-61(53)74(5,6)65(57)42-51;1-45-25-33-51(34-26-45)72(52-37-29-49(30-38-52)56-17-7-5-15-47(56)3)55-41-42-60-64(43-55)71(62-22-12-9-19-58(62)59-20-10-13-23-63(59)71)65-44-66(69-61-21-11-14-24-67(61)74-70(69)68(60)65)73(53-35-27-46(2)28-36-53)54-39-31-50(32-40-54)57-18-8-6-16-48(57)4/h5-52H,1-4H3;1-48H;11-46H,1-10H3;3-48H,1-2H3;7-44H,1-6H3;5-44H,1-4H3.
What are the key properties of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine has a molecular weight of 6233.87 g/mol, XLogP of 126.30, 46 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is sourced from PubChem (CID 157493728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).