5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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

C272H192N8O6 — CID 158119022

IUPAC5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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
SMILESCc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccccc45)ccc13)C(C)(C)c1cc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C72H50N2O2.C68H50N2.2C66H46N2O2/c1-45-52-41-39-50(73(48-25-12-6-13-26-48)64-37-19-34-58-56-32-16-29-53(68(56)75-70(58)64)46-21-8-4-9-22-46)43-61(52)55-31-18-36-62-67(55)66(45)60-42-40-51(44-63(60)72(62,2)3)74(49-27-14-7-15-28-49)65-38-20-35-59-57-33-17-30-54(69(57)76-71(59)65)47-23-10-5-11-24-47;1-45-54-40-38-52(70(65-35-18-27-49-25-12-13-28-57(49)65)64-34-17-15-30-56(64)48-23-8-5-9-24-48)43-60(54)58-31-19-32-61-67(58)66(45)59-41-39-53(44-62(59)68(61,2)3)69(51-37-36-46-20-10-11-26-50(46)42-51)63-33-16-14-29-55(63)47-21-6-4-7-22-47;1-41-46-37-35-44(68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58;1-41-46-37-35-44(67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59/h4-44H,1-3H3;4-44H,1-3H3;2*4-40H,1-3H3
InChIKeyFRJLEKNLKQVWRR-UHFFFAOYSA-N
MW3668.58 g/mol
LogP77.89
Rot. Bonds30

About 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 158119022) has the molecular formula C272H192N8O6 and a molecular weight of 3668.58 g/mol. Its IUPAC name is 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 CID158119022
Molecular FormulaC272H192N8O6
Molecular Weight3668.58 g/mol
Exact Mass3665.50
IUPAC Name5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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
SMILESCc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccccc45)ccc13)C(C)(C)c1cc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3)ccc1-2
InChIInChI=1S/C72H50N2O2.C68H50N2.2C66H46N2O2/c1-45-52-41-39-50(73(48-25-12-6-13-26-48)64-37-19-34-58-56-32-16-29-53(68(56)75-70(58)64)46-21-8-4-9-22-46)43-61(52)55-31-18-36-62-67(55)66(45)60-42-40-51(44-63(60)72(62,2)3)74(49-27-14-7-15-28-49)65-38-20-35-59-57-33-17-30-54(69(57)76-71(59)65)47-23-10-5-11-24-47;1-45-54-40-38-52(70(65-35-18-27-49-25-12-13-28-57(49)65)64-34-17-15-30-56(64)48-23-8-5-9-24-48)43-60(54)58-31-19-32-61-67(58)66(45)59-41-39-53(44-62(59)68(61,2)3)69(51-37-36-46-20-10-11-26-50(46)42-51)63-33-16-14-29-55(63)47-21-6-4-7-22-47;1-41-46-37-35-44(68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58;1-41-46-37-35-44(67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59/h4-44H,1-3H3;4-44H,1-3H3;2*4-40H,1-3H3
InChIKeyFRJLEKNLKQVWRR-UHFFFAOYSA-N
XLogP77.89
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003668.58
LogP ≤ 577.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 158119022) is 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc1-2.Cc1c2c3c(cccc3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccccc45)ccc13)C(C)(C)c1cc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3)ccc1-2.
What is the InChIKey of 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 FRJLEKNLKQVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2O2.C68H50N2.2C66H46N2O2/c1-45-52-41-39-50(73(48-25-12-6-13-26-48)64-37-19-34-58-56-32-16-29-53(68(56)75-70(58)64)46-21-8-4-9-22-46)43-61(52)55-31-18-36-62-67(55)66(45)60-42-40-51(44-63(60)72(62,2)3)74(49-27-14-7-15-28-49)65-38-20-35-59-57-33-17-30-54(69(57)76-71(59)65)47-23-10-5-11-24-47;1-45-54-40-38-52(70(65-35-18-27-49-25-12-13-28-57(49)65)64-34-17-15-30-56(64)48-23-8-5-9-24-48)43-60(54)58-31-19-32-61-67(58)66(45)59-41-39-53(44-62(59)68(61,2)3)69(51-37-36-46-20-10-11-26-50(46)42-51)63-33-16-14-29-55(63)47-21-6-4-7-22-47;1-41-46-37-35-44(68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58;1-41-46-37-35-44(67(43-21-8-5-9-22-43)58-31-17-27-51-48-24-11-14-33-60(48)69-64(51)58)39-54(46)50-26-16-29-55-63(50)62(41)53-38-36-45(40-56(53)66(55,2)3)68(57-30-13-10-23-47(57)42-19-6-4-7-20-42)59-32-18-28-52-49-25-12-15-34-61(49)70-65(52)59/h4-44H,1-3H3;4-44H,1-3H3;2*4-40H,1-3H3.
What are the key properties of 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 3668.58 g/mol, XLogP of 77.89, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[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)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[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;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[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;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[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 158119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).