8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C398H341N13O6SSi2 — CID 161263969

IUPAC8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2cccc3cc4c(cc23)oc2c3ccccc3c(N(c3ccccc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc42)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c23)cc1.CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4cc2-3)cc1.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc3oc4ccccc4c3c1)c1ccccc21.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)sc2cc(N(c4ccc(C)cc4)c4cc(C)cc(C)c4)c4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(oc5ccncc54)c(N(c4ccccc4)c4cccc5ccccc45)c2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C67H46N2O2.C62H39N3O.C60H62N2O.C56H60N2O.C55H62N2Si2.C52H32O.C46H40N2S/c1-67(2)59-41-51(68(47-29-25-45(26-30-47)43-15-5-3-6-16-43)49-34-37-64-57(39-49)53-20-11-13-23-62(53)70-64)33-36-56(59)66-55-22-10-9-19-52(55)61(42-60(66)67)69(48-31-27-46(28-32-48)44-17-7-4-8-18-44)50-35-38-65-58(40-50)54-21-12-14-24-63(54)71-65;1-3-21-42(22-4-1)64(56-31-15-19-40-17-7-9-25-45(40)56)44-33-34-49-54(37-44)62(52-29-13-11-27-47(52)48-28-12-14-30-53(48)62)55-38-50-51-39-63-36-35-58(51)66-61(50)60(59(49)55)65(43-23-5-2-6-24-43)57-32-16-20-41-18-8-10-26-46(41)57;1-57(2,3)40-31-41(58(4,5)6)34-46(33-40)61(44-23-15-13-16-24-44)53-29-21-22-39-30-51-52-37-54(48-27-19-20-28-49(48)56(52)63-55(51)38-50(39)53)62(45-25-17-14-18-26-45)47-35-42(59(7,8)9)32-43(36-47)60(10,11)12;1-53(2,3)37-17-25-41(26-18-37)57(42-27-19-38(20-28-42)54(4,5)6)45-33-34-48-50(35-45)59-51-36-49(46-15-13-14-16-47(46)52(48)51)58(43-29-21-39(22-30-43)55(7,8)9)44-31-23-40(24-32-44)56(10,11)12;1-37(2)39-13-18-43(19-14-39)56(45-23-28-49(29-24-45)58(7,8)9)47-22-17-41-34-52-51-32-27-48(36-54(51)55(5,6)53(52)35-42(41)33-47)57(44-20-15-40(16-21-44)38(3)4)46-25-30-50(31-26-46)59(10,11)12;1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-43-18-8-10-20-45(43)52(46-21-11-9-19-44(46)51)47-29-28-39(40-16-6-7-17-41(40)47)38-26-27-42-48-30-36-14-4-5-15-37(36)31-50(48)53-49(42)32-38;1-29-11-15-35(16-12-29)47(38-23-31(3)21-32(4)24-38)37-19-20-42-44(27-37)49-45-28-43(40-9-7-8-10-41(40)46(42)45)48(36-17-13-30(2)14-18-36)39-25-33(5)22-34(6)26-39/h3-42H,1-2H3;1-39H;13-38H,1-12H3;13-36H,1-12H3;13-38H,1-12H3;1-32H;7-28H,1-6H3
InChIKeyVCXREHKUTJOALB-UHFFFAOYSA-N
MW5490.43 g/mol
LogP114.97
Rot. Bonds46

About 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 161263969) has the molecular formula C398H341N13O6SSi2 and a molecular weight of 5490.43 g/mol. Its IUPAC name is 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID161263969
Molecular FormulaC398H341N13O6SSi2
Molecular Weight5490.43 g/mol
Exact Mass5485.60
IUPAC Name8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2cccc3cc4c(cc23)oc2c3ccccc3c(N(c3ccccc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc42)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c23)cc1.CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4cc2-3)cc1.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc3oc4ccccc4c3c1)c1ccccc21.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)sc2cc(N(c4ccc(C)cc4)c4cc(C)cc(C)c4)c4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(oc5ccncc54)c(N(c4ccccc4)c4cccc5ccccc45)c2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C67H46N2O2.C62H39N3O.C60H62N2O.C56H60N2O.C55H62N2Si2.C52H32O.C46H40N2S/c1-67(2)59-41-51(68(47-29-25-45(26-30-47)43-15-5-3-6-16-43)49-34-37-64-57(39-49)53-20-11-13-23-62(53)70-64)33-36-56(59)66-55-22-10-9-19-52(55)61(42-60(66)67)69(48-31-27-46(28-32-48)44-17-7-4-8-18-44)50-35-38-65-58(40-50)54-21-12-14-24-63(54)71-65;1-3-21-42(22-4-1)64(56-31-15-19-40-17-7-9-25-45(40)56)44-33-34-49-54(37-44)62(52-29-13-11-27-47(52)48-28-12-14-30-53(48)62)55-38-50-51-39-63-36-35-58(51)66-61(50)60(59(49)55)65(43-23-5-2-6-24-43)57-32-16-20-41-18-8-10-26-46(41)57;1-57(2,3)40-31-41(58(4,5)6)34-46(33-40)61(44-23-15-13-16-24-44)53-29-21-22-39-30-51-52-37-54(48-27-19-20-28-49(48)56(52)63-55(51)38-50(39)53)62(45-25-17-14-18-26-45)47-35-42(59(7,8)9)32-43(36-47)60(10,11)12;1-53(2,3)37-17-25-41(26-18-37)57(42-27-19-38(20-28-42)54(4,5)6)45-33-34-48-50(35-45)59-51-36-49(46-15-13-14-16-47(46)52(48)51)58(43-29-21-39(22-30-43)55(7,8)9)44-31-23-40(24-32-44)56(10,11)12;1-37(2)39-13-18-43(19-14-39)56(45-23-28-49(29-24-45)58(7,8)9)47-22-17-41-34-52-51-32-27-48(36-54(51)55(5,6)53(52)35-42(41)33-47)57(44-20-15-40(16-21-44)38(3)4)46-25-30-50(31-26-46)59(10,11)12;1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-43-18-8-10-20-45(43)52(46-21-11-9-19-44(46)51)47-29-28-39(40-16-6-7-17-41(40)47)38-26-27-42-48-30-36-14-4-5-15-37(36)31-50(48)53-49(42)32-38;1-29-11-15-35(16-12-29)47(38-23-31(3)21-32(4)24-38)37-19-20-42-44(27-37)49-45-28-43(40-9-7-8-10-41(40)46(42)45)48(36-17-13-30(2)14-18-36)39-25-33(5)22-34(6)26-39/h3-42H,1-2H3;1-39H;13-38H,1-12H3;13-36H,1-12H3;13-38H,1-12H3;1-32H;7-28H,1-6H3
InChIKeyVCXREHKUTJOALB-UHFFFAOYSA-N
XLogP114.97
TPSA130.61 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds46
Heavy Atoms420
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005490.43
LogP ≤ 5114.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 161263969) is 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2cccc3cc4c(cc23)oc2c3ccccc3c(N(c3ccccc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc42)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c23)cc1.CC(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc4cc2-3)cc1.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc3oc4ccccc4c3c1)c1ccccc21.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)sc2cc(N(c4ccc(C)cc4)c4cc(C)cc(C)c4)c4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(oc5ccncc54)c(N(c4ccccc4)c4cccc5ccccc45)c2-3)c2cccc3ccccc23)cc1.
What is the InChIKey of 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is VCXREHKUTJOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O2.C62H39N3O.C60H62N2O.C56H60N2O.C55H62N2Si2.C52H32O.C46H40N2S/c1-67(2)59-41-51(68(47-29-25-45(26-30-47)43-15-5-3-6-16-43)49-34-37-64-57(39-49)53-20-11-13-23-62(53)70-64)33-36-56(59)66-55-22-10-9-19-52(55)61(42-60(66)67)69(48-31-27-46(28-32-48)44-17-7-4-8-18-44)50-35-38-65-58(40-50)54-21-12-14-24-63(54)71-65;1-3-21-42(22-4-1)64(56-31-15-19-40-17-7-9-25-45(40)56)44-33-34-49-54(37-44)62(52-29-13-11-27-47(52)48-28-12-14-30-53(48)62)55-38-50-51-39-63-36-35-58(51)66-61(50)60(59(49)55)65(43-23-5-2-6-24-43)57-32-16-20-41-18-8-10-26-46(41)57;1-57(2,3)40-31-41(58(4,5)6)34-46(33-40)61(44-23-15-13-16-24-44)53-29-21-22-39-30-51-52-37-54(48-27-19-20-28-49(48)56(52)63-55(51)38-50(39)53)62(45-25-17-14-18-26-45)47-35-42(59(7,8)9)32-43(36-47)60(10,11)12;1-53(2,3)37-17-25-41(26-18-37)57(42-27-19-38(20-28-42)54(4,5)6)45-33-34-48-50(35-45)59-51-36-49(46-15-13-14-16-47(46)52(48)51)58(43-29-21-39(22-30-43)55(7,8)9)44-31-23-40(24-32-44)56(10,11)12;1-37(2)39-13-18-43(19-14-39)56(45-23-28-49(29-24-45)58(7,8)9)47-22-17-41-34-52-51-32-27-48(36-54(51)55(5,6)53(52)35-42(41)33-47)57(44-20-15-40(16-21-44)38(3)4)46-25-30-50(31-26-46)59(10,11)12;1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-43-18-8-10-20-45(43)52(46-21-11-9-19-44(46)51)47-29-28-39(40-16-6-7-17-41(40)47)38-26-27-42-48-30-36-14-4-5-15-37(36)31-50(48)53-49(42)32-38;1-29-11-15-35(16-12-29)47(38-23-31(3)21-32(4)24-38)37-19-20-42-44(27-37)49-45-28-43(40-9-7-8-10-41(40)46(42)45)48(36-17-13-30(2)14-18-36)39-25-33(5)22-34(6)26-39/h3-42H,1-2H3;1-39H;13-38H,1-12H3;13-36H,1-12H3;13-38H,1-12H3;1-32H;7-28H,1-6H3.
What are the key properties of 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 5490.43 g/mol, XLogP of 114.97, 46 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,20-N-bis(3,5-ditert-butylphenyl)-8-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-8,20-diamine;5-N,9-N-bis(3,5-dimethylphenyl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzothiole-5,9-diamine;5-N,9-N-di(dibenzofuran-2-yl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;11,11-dimethyl-2-N,8-N-bis(4-propan-2-ylphenyl)-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine;12-N,17-N-dinaphthalen-1-yl-12-N,17-N-diphenylspiro[10-oxa-6-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-20,9'-fluorene]-12,17-diamine;3-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 161263969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).