N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

C334H215N5O6S3 — CID 159160175

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4sc5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cc21.c1ccc(-c2cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c2)cc1
InChIInChI=1S/C70H43NO.C66H43NO2.3C66H43NOS/c1-2-19-44(20-3-1)47-23-16-24-48(43-47)71(63-37-17-35-59-65(63)53-29-10-14-33-57(53)69(59)55-31-12-8-27-51(55)52-28-9-13-32-56(52)69)64-38-18-36-60-66(64)54-30-11-15-34-58(54)70(60)61-41-39-45-21-4-6-25-49(45)67(61)72-68-50-26-7-5-22-46(50)40-42-62(68)70;1-65(2)53-24-10-7-19-48(53)49-36-35-44(39-58(49)65)67(43-33-29-42(30-34-43)45-22-13-23-51-50-20-9-12-28-60(50)68-62(45)51)59-27-14-26-55-61(59)52-21-8-11-25-54(52)66(55)56-37-31-40-15-3-5-17-46(40)63(56)69-64-47-18-6-4-16-41(47)32-38-57(64)66;1-65(2)54-22-10-7-18-49(54)50-34-32-45(39-59(50)65)67(44-33-37-61-53(38-44)51-19-9-12-25-60(51)69-61)43-30-26-42(27-31-43)46-21-13-24-56-62(46)52-20-8-11-23-55(52)66(56)57-35-28-40-14-3-5-16-47(40)63(57)68-64-48-17-6-4-15-41(48)29-36-58(64)66;1-65(2)53-21-10-7-18-48(53)50-35-33-45(39-57(50)65)67(59-23-13-25-61-62(59)52-20-9-12-24-60(52)69-61)44-31-26-40(27-32-44)43-28-34-51-49-19-8-11-22-54(49)66(58(51)38-43)55-36-29-41-14-3-5-16-46(41)63(55)68-64-47-17-6-4-15-42(47)30-37-56(64)66;1-65(2)55-20-10-7-17-49(55)51-33-30-45(38-59(51)65)67(46-31-34-54-53-19-9-12-22-61(53)69-62(54)39-46)44-28-23-40(24-29-44)43-25-32-52-50-18-8-11-21-56(50)66(60(52)37-43)57-35-26-41-13-3-5-15-47(41)63(57)68-64-48-16-6-4-14-42(48)27-36-58(64)66/h1-43H;4*3-39H,1-2H3
InChIKeyKKJSSUZWDIUVSX-UHFFFAOYSA-N
MW4490.62 g/mol
LogP90.56
Rot. Bonds20

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (PubChem CID 159160175) has the molecular formula C334H215N5O6S3 and a molecular weight of 4490.62 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
PubChem CID159160175
Molecular FormulaC334H215N5O6S3
Molecular Weight4490.62 g/mol
Exact Mass4486.58
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4sc5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cc21.c1ccc(-c2cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c2)cc1
InChIInChI=1S/C70H43NO.C66H43NO2.3C66H43NOS/c1-2-19-44(20-3-1)47-23-16-24-48(43-47)71(63-37-17-35-59-65(63)53-29-10-14-33-57(53)69(59)55-31-12-8-27-51(55)52-28-9-13-32-56(52)69)64-38-18-36-60-66(64)54-30-11-15-34-58(54)70(60)61-41-39-45-21-4-6-25-49(45)67(61)72-68-50-26-7-5-22-46(50)40-42-62(68)70;1-65(2)53-24-10-7-19-48(53)49-36-35-44(39-58(49)65)67(43-33-29-42(30-34-43)45-22-13-23-51-50-20-9-12-28-60(50)68-62(45)51)59-27-14-26-55-61(59)52-21-8-11-25-54(52)66(55)56-37-31-40-15-3-5-17-46(40)63(56)69-64-47-18-6-4-16-41(47)32-38-57(64)66;1-65(2)54-22-10-7-18-49(54)50-34-32-45(39-59(50)65)67(44-33-37-61-53(38-44)51-19-9-12-25-60(51)69-61)43-30-26-42(27-31-43)46-21-13-24-56-62(46)52-20-8-11-23-55(52)66(56)57-35-28-40-14-3-5-16-47(40)63(57)68-64-48-17-6-4-15-41(48)29-36-58(64)66;1-65(2)53-21-10-7-18-48(53)50-35-33-45(39-57(50)65)67(59-23-13-25-61-62(59)52-20-9-12-24-60(52)69-61)44-31-26-40(27-32-44)43-28-34-51-49-19-8-11-22-54(49)66(58(51)38-43)55-36-29-41-14-3-5-16-46(41)63(55)68-64-47-17-6-4-15-42(47)30-37-56(64)66;1-65(2)55-20-10-7-17-49(55)51-33-30-45(38-59(51)65)67(46-31-34-54-53-19-9-12-22-61(53)69-62(54)39-46)44-28-23-40(24-29-44)43-25-32-52-50-18-8-11-21-56(50)66(60(52)37-43)57-35-26-41-13-3-5-15-47(41)63(57)68-64-48-16-6-4-14-42(48)27-36-58(64)66/h1-43H;4*3-39H,1-2H3
InChIKeyKKJSSUZWDIUVSX-UHFFFAOYSA-N
XLogP90.56
TPSA75.49 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004490.62
LogP ≤ 590.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (CID 159160175) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc4sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4sc5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cc21.c1ccc(-c2cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
The InChIKey is KKJSSUZWDIUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43NO.C66H43NO2.3C66H43NOS/c1-2-19-44(20-3-1)47-23-16-24-48(43-47)71(63-37-17-35-59-65(63)53-29-10-14-33-57(53)69(59)55-31-12-8-27-51(55)52-28-9-13-32-56(52)69)64-38-18-36-60-66(64)54-30-11-15-34-58(54)70(60)61-41-39-45-21-4-6-25-49(45)67(61)72-68-50-26-7-5-22-46(50)40-42-62(68)70;1-65(2)53-24-10-7-19-48(53)49-36-35-44(39-58(49)65)67(43-33-29-42(30-34-43)45-22-13-23-51-50-20-9-12-28-60(50)68-62(45)51)59-27-14-26-55-61(59)52-21-8-11-25-54(52)66(55)56-37-31-40-15-3-5-17-46(40)63(56)69-64-47-18-6-4-16-41(47)32-38-57(64)66;1-65(2)54-22-10-7-18-49(54)50-34-32-45(39-59(50)65)67(44-33-37-61-53(38-44)51-19-9-12-25-60(51)69-61)43-30-26-42(27-31-43)46-21-13-24-56-62(46)52-20-8-11-23-55(52)66(56)57-35-28-40-14-3-5-16-47(40)63(57)68-64-48-17-6-4-15-41(48)29-36-58(64)66;1-65(2)53-21-10-7-18-48(53)50-35-33-45(39-57(50)65)67(59-23-13-25-61-62(59)52-20-9-12-24-60(52)69-61)44-31-26-40(27-32-44)43-28-34-51-49-19-8-11-22-54(49)66(58(51)38-43)55-36-29-41-14-3-5-16-46(41)63(55)68-64-47-17-6-4-15-42(47)30-37-56(64)66;1-65(2)55-20-10-7-17-49(55)51-33-30-45(38-59(51)65)67(46-31-34-54-53-19-9-12-22-61(53)69-62(54)39-46)44-28-23-40(24-29-44)43-25-32-52-50-18-8-11-21-56(50)66(60(52)37-43)57-35-26-41-13-3-5-15-47(41)63(57)68-64-48-16-6-4-14-42(48)27-36-58(64)66/h1-43H;4*3-39H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine has a molecular weight of 4490.62 g/mol, XLogP of 90.56, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 159160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).