5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C321H216N10O9 — CID 159259262

IUPAC5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3c3cccc1c23
InChIInChI=1S/C69H48N2O.4C63H42N2O2/c1-69(2)62-31-17-29-58-60-43-52(70(51-25-10-5-11-26-51)54-40-49(45-19-6-3-7-20-45)39-50(41-54)46-21-8-4-9-22-46)36-35-48(60)42-61(67(58)62)56-38-37-53(44-63(56)69)71(64-32-16-24-47-23-12-13-27-55(47)64)65-33-18-30-59-57-28-14-15-34-66(57)72-68(59)65;1-63(2)53-26-13-23-48-51-37-42(65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56;1-63(2)53-26-13-23-48-51-37-42(64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57;1-63(2)54-24-12-21-49-52-37-44(65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56;1-63(2)54-24-12-21-49-52-37-44(64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57/h3-44H,1-2H3;4*3-38H,1-2H3
InChIKeyKWHJMPZVWREVOI-UHFFFAOYSA-N
MW4357.32 g/mol
LogP92.39
Rot. Bonds32

About 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 159259262) has the molecular formula C321H216N10O9 and a molecular weight of 4357.32 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
PubChem CID159259262
Molecular FormulaC321H216N10O9
Molecular Weight4357.32 g/mol
Exact Mass4353.68
IUPAC Name5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3c3cccc1c23
InChIInChI=1S/C69H48N2O.4C63H42N2O2/c1-69(2)62-31-17-29-58-60-43-52(70(51-25-10-5-11-26-51)54-40-49(45-19-6-3-7-20-45)39-50(41-54)46-21-8-4-9-22-46)36-35-48(60)42-61(67(58)62)56-38-37-53(44-63(56)69)71(64-32-16-24-47-23-12-13-27-55(47)64)65-33-18-30-59-57-28-14-15-34-66(57)72-68(59)65;1-63(2)53-26-13-23-48-51-37-42(65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56;1-63(2)53-26-13-23-48-51-37-42(64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57;1-63(2)54-24-12-21-49-52-37-44(65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56;1-63(2)54-24-12-21-49-52-37-44(64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57/h3-44H,1-2H3;4*3-38H,1-2H3
InChIKeyKWHJMPZVWREVOI-UHFFFAOYSA-N
XLogP92.39
TPSA150.66 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms340
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004357.32
LogP ≤ 592.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The IUPAC name of 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 159259262) is 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.
What is the SMILES notation for 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The canonical SMILES for 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is CC1(C)c2cc(N(c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3cccc1c23.CC1(C)c2cc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.
What is the InChIKey of 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
The InChIKey is KWHJMPZVWREVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N2O.4C63H42N2O2/c1-69(2)62-31-17-29-58-60-43-52(70(51-25-10-5-11-26-51)54-40-49(45-19-6-3-7-20-45)39-50(41-54)46-21-8-4-9-22-46)36-35-48(60)42-61(67(58)62)56-38-37-53(44-63(56)69)71(64-32-16-24-47-23-12-13-27-55(47)64)65-33-18-30-59-57-28-14-15-34-66(57)72-68(59)65;1-63(2)53-26-13-23-48-51-37-42(65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56;1-63(2)53-26-13-23-48-51-37-42(64(41-18-4-3-5-19-41)56-28-14-24-49-46-21-8-10-30-58(46)66-61(49)56)33-32-40(51)36-52(60(48)53)45-35-34-43(38-54(45)63)65(55-27-12-17-39-16-6-7-20-44(39)55)57-29-15-25-50-47-22-9-11-31-59(47)67-62(50)57;1-63(2)54-24-12-21-49-52-37-44(65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56;1-63(2)54-24-12-21-49-52-37-44(64(42-17-4-3-5-18-42)56-25-13-22-50-47-19-8-10-27-58(47)66-61(50)56)32-30-41(52)36-53(60(49)54)46-34-33-45(38-55(46)63)65(43-31-29-39-15-6-7-16-40(39)35-43)57-26-14-23-51-48-20-9-11-28-59(48)67-62(51)57/h3-44H,1-2H3;4*3-38H,1-2H3.
What are the key properties of 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?
5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 4357.32 g/mol, XLogP of 92.39, 32 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-dibenzofuran-4-yl-16-N-(3,5-diphenylphenyl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-1-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-5-N-naphthalen-2-yl-16-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-1-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 159259262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).