5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile

C260H172N18O8 — CID 160602144

IUPAC5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2)c2nc(-c4ccccc4C)oc12)C3(c1ccccc1)c1ccccc1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc(-c4ccccc4)nc13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3nc(-c4ccccc4)oc13)C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C#N)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H38N6O2.2C65H44N4O2.C65H46N4O2/c1-67-44-32-36-48(37-33-44)71(46-24-12-5-13-25-46)56-39-54-58(62-60(56)69-64(73-62)43-20-8-3-9-21-43)57-53(65(54)51-28-16-14-26-49(51)50-27-15-17-29-52(50)65)38-55(59-61(57)72-63(68-59)42-18-6-2-7-19-42)70(45-22-10-4-11-23-45)47-34-30-41(40-66)31-35-47;1-41-23-15-21-37-53(41)68(45-29-11-5-12-30-45)55-39-51-57(61-59(55)66-63(70-61)43-25-7-3-8-26-43)58-52(65(51)49-35-19-17-33-47(49)48-34-18-20-36-50(48)65)40-56(60-62(58)71-64(67-60)44-27-9-4-10-28-44)69(46-31-13-6-14-32-46)54-38-22-16-24-42(54)2;1-41-31-35-47(36-32-41)68(45-23-11-5-12-24-45)55-39-53-57(61-59(55)66-63(70-61)43-19-7-3-8-20-43)58-54(65(53)51-29-17-15-27-49(51)50-28-16-18-30-52(50)65)40-56(60-62(58)71-64(67-60)44-21-9-4-10-22-44)69(46-25-13-6-14-26-46)48-37-33-42(2)34-38-48;1-43-25-21-23-39-51(43)63-66-59-55(68(47-31-13-5-14-32-47)48-33-15-6-16-34-48)41-53-57(61(59)70-63)58-54(65(53,45-27-9-3-10-28-45)46-29-11-4-12-30-46)42-56(60-62(58)71-64(67-60)52-40-24-22-26-44(52)2)69(49-35-17-7-18-36-49)50-37-19-8-20-38-50/h2-39H;2*3-40H,1-2H3;3-42H,1-2H3
InChIKeyREKLROXYIFKCGZ-UHFFFAOYSA-N
MW3676.35 g/mol
LogP68.64
Rot. Bonds34

About 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile

5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile (PubChem CID 160602144) has the molecular formula C260H172N18O8 and a molecular weight of 3676.35 g/mol. Its IUPAC name is 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile.

Molecular Properties

Compound Name5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile
PubChem CID160602144
Molecular FormulaC260H172N18O8
Molecular Weight3676.35 g/mol
Exact Mass3673.36
IUPAC Name5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2)c2nc(-c4ccccc4C)oc12)C3(c1ccccc1)c1ccccc1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc(-c4ccccc4)nc13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3nc(-c4ccccc4)oc13)C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C#N)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H38N6O2.2C65H44N4O2.C65H46N4O2/c1-67-44-32-36-48(37-33-44)71(46-24-12-5-13-25-46)56-39-54-58(62-60(56)69-64(73-62)43-20-8-3-9-21-43)57-53(65(54)51-28-16-14-26-49(51)50-27-15-17-29-52(50)65)38-55(59-61(57)72-63(68-59)42-18-6-2-7-19-42)70(45-22-10-4-11-23-45)47-34-30-41(40-66)31-35-47;1-41-23-15-21-37-53(41)68(45-29-11-5-12-30-45)55-39-51-57(61-59(55)66-63(70-61)43-25-7-3-8-26-43)58-52(65(51)49-35-19-17-33-47(49)48-34-18-20-36-50(48)65)40-56(60-62(58)71-64(67-60)44-27-9-4-10-28-44)69(46-31-13-6-14-32-46)54-38-22-16-24-42(54)2;1-41-31-35-47(36-32-41)68(45-23-11-5-12-24-45)55-39-53-57(61-59(55)66-63(70-61)43-19-7-3-8-20-43)58-54(65(53)51-29-17-15-27-49(51)50-28-16-18-30-52(50)65)40-56(60-62(58)71-64(67-60)44-21-9-4-10-22-44)69(46-25-13-6-14-26-46)48-37-33-42(2)34-38-48;1-43-25-21-23-39-51(43)63-66-59-55(68(47-31-13-5-14-32-47)48-33-15-6-16-34-48)41-53-57(61(59)70-63)58-54(65(53,45-27-9-3-10-28-45)46-29-11-4-12-30-46)42-56(60-62(58)71-64(67-60)52-40-24-22-26-44(52)2)69(49-35-17-7-18-36-49)50-37-19-8-20-38-50/h2-39H;2*3-40H,1-2H3;3-42H,1-2H3
InChIKeyREKLROXYIFKCGZ-UHFFFAOYSA-N
XLogP68.64
TPSA262.31 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003676.35
LogP ≤ 568.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile?
The IUPAC name of 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile (CID 160602144) is 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile.
What is the SMILES notation for 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile?
The canonical SMILES for 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile is Cc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1.Cc1ccccc1-c1nc2c(N(c3ccccc3)c3ccccc3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccccc2)c2nc(-c4ccccc4C)oc12)C3(c1ccccc1)c1ccccc1.Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc(-c4ccccc4)nc13)-c1c(cc(N(c3ccccc3)c3ccccc3C)c3nc(-c4ccccc4)oc13)C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C#N)cc4)c4nc(-c5ccccc5)oc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile?
The InChIKey is REKLROXYIFKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N6O2.2C65H44N4O2.C65H46N4O2/c1-67-44-32-36-48(37-33-44)71(46-24-12-5-13-25-46)56-39-54-58(62-60(56)69-64(73-62)43-20-8-3-9-21-43)57-53(65(54)51-28-16-14-26-49(51)50-27-15-17-29-52(50)65)38-55(59-61(57)72-63(68-59)42-18-6-2-7-19-42)70(45-22-10-4-11-23-45)47-34-30-41(40-66)31-35-47;1-41-23-15-21-37-53(41)68(45-29-11-5-12-30-45)55-39-51-57(61-59(55)66-63(70-61)43-25-7-3-8-26-43)58-52(65(51)49-35-19-17-33-47(49)48-34-18-20-36-50(48)65)40-56(60-62(58)71-64(67-60)44-27-9-4-10-28-44)69(46-31-13-6-14-32-46)54-38-22-16-24-42(54)2;1-41-31-35-47(36-32-41)68(45-23-11-5-12-24-45)55-39-53-57(61-59(55)66-63(70-61)43-19-7-3-8-20-43)58-54(65(53)51-29-17-15-27-49(51)50-28-16-18-30-52(50)65)40-56(60-62(58)71-64(67-60)44-21-9-4-10-22-44)69(46-25-13-6-14-26-46)48-37-33-42(2)34-38-48;1-43-25-21-23-39-51(43)63-66-59-55(68(47-31-13-5-14-32-47)48-33-15-6-16-34-48)41-53-57(61(59)70-63)58-54(65(53,45-27-9-3-10-28-45)46-29-11-4-12-30-46)42-56(60-62(58)71-64(67-60)52-40-24-22-26-44(52)2)69(49-35-17-7-18-36-49)50-37-19-8-20-38-50/h2-39H;2*3-40H,1-2H3;3-42H,1-2H3.
What are the key properties of 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile?
5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile has a molecular weight of 3676.35 g/mol, XLogP of 68.64, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile is sourced from PubChem (CID 160602144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).