4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

C290H210N10O5 — CID 161424945

IUPAC4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4oc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2cccc(-c3ccccc3)c2)c2cc3c4cc(N(c5cccc(C)c5)c5cccc(-c6ccccc6)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2-c2ccccc2)c2cc3c4cc(N(c5cccc(C)c5)c5ccccc5-c5ccccc5)c5ccccc5c4oc3c3ccccc23)c1.Cc1ccccc1N(c1ccccc1-c1ccccc1)c1cc2c3cc(N(c4ccccc4C)c4ccccc4-c4ccccc4)c4ccccc4c3oc2c2ccccc12
InChIInChI=1S/5C58H42N2O/c1-39-21-9-17-33-51(39)59(53-35-19-15-27-43(53)41-23-5-3-6-24-41)55-37-49-50-38-56(46-30-12-14-32-48(46)58(50)61-57(49)47-31-13-11-29-45(47)55)60(52-34-18-10-22-40(52)2)54-36-20-16-28-44(54)42-25-7-4-8-26-42;1-39-17-13-25-45(33-39)59(47-27-15-23-43(35-47)41-19-5-3-6-20-41)55-37-53-54-38-56(50-30-10-12-32-52(50)58(54)61-57(53)51-31-11-9-29-49(51)55)60(46-26-14-18-40(2)34-46)48-28-16-24-44(36-48)42-21-7-4-8-22-42;1-39-19-17-25-43(35-39)59(53-33-15-13-27-45(53)41-21-5-3-6-22-41)55-37-51-52-38-56(48-30-10-12-32-50(48)58(52)61-57(51)49-31-11-9-29-47(49)55)60(44-26-18-20-40(2)36-44)54-34-16-14-28-46(54)42-23-7-4-8-24-42;1-39-15-13-21-47(35-39)59(45-31-27-43(28-32-45)41-17-5-3-6-18-41)55-37-53-54-38-56(50-24-10-12-26-52(50)58(54)61-57(53)51-25-11-9-23-49(51)55)60(48-22-14-16-40(2)36-48)46-33-29-44(30-34-46)42-19-7-4-8-20-42;1-39-21-29-45(30-22-39)59(47-33-25-43(26-34-47)41-13-5-3-6-14-41)55-37-53-54-38-56(50-18-10-12-20-52(50)58(54)61-57(53)51-19-11-9-17-49(51)55)60(46-31-23-40(2)24-32-46)48-35-27-44(28-36-48)42-15-7-4-8-16-42/h5*3-38H,1-2H3
InChIKeyVXFSUFBBUIZQTG-UHFFFAOYSA-N
MW3914.93 g/mol
LogP83.91
Rot. Bonds40

About 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (PubChem CID 161424945) has the molecular formula C290H210N10O5 and a molecular weight of 3914.93 g/mol. Its IUPAC name is 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

Compound Name4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
PubChem CID161424945
Molecular FormulaC290H210N10O5
Molecular Weight3914.93 g/mol
Exact Mass3911.65
IUPAC Name4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4oc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2cccc(-c3ccccc3)c2)c2cc3c4cc(N(c5cccc(C)c5)c5cccc(-c6ccccc6)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2-c2ccccc2)c2cc3c4cc(N(c5cccc(C)c5)c5ccccc5-c5ccccc5)c5ccccc5c4oc3c3ccccc23)c1.Cc1ccccc1N(c1ccccc1-c1ccccc1)c1cc2c3cc(N(c4ccccc4C)c4ccccc4-c4ccccc4)c4ccccc4c3oc2c2ccccc12
InChIInChI=1S/5C58H42N2O/c1-39-21-9-17-33-51(39)59(53-35-19-15-27-43(53)41-23-5-3-6-24-41)55-37-49-50-38-56(46-30-12-14-32-48(46)58(50)61-57(49)47-31-13-11-29-45(47)55)60(52-34-18-10-22-40(52)2)54-36-20-16-28-44(54)42-25-7-4-8-26-42;1-39-17-13-25-45(33-39)59(47-27-15-23-43(35-47)41-19-5-3-6-20-41)55-37-53-54-38-56(50-30-10-12-32-52(50)58(54)61-57(53)51-31-11-9-29-49(51)55)60(46-26-14-18-40(2)34-46)48-28-16-24-44(36-48)42-21-7-4-8-22-42;1-39-19-17-25-43(35-39)59(53-33-15-13-27-45(53)41-21-5-3-6-22-41)55-37-51-52-38-56(48-30-10-12-32-50(48)58(52)61-57(51)49-31-11-9-29-47(49)55)60(44-26-18-20-40(2)36-44)54-34-16-14-28-46(54)42-23-7-4-8-24-42;1-39-15-13-21-47(35-39)59(45-31-27-43(28-32-45)41-17-5-3-6-18-41)55-37-53-54-38-56(50-24-10-12-26-52(50)58(54)61-57(53)51-25-11-9-23-49(51)55)60(48-22-14-16-40(2)36-48)46-33-29-44(30-34-46)42-19-7-4-8-20-42;1-39-21-29-45(30-22-39)59(47-33-25-43(26-34-47)41-13-5-3-6-14-41)55-37-53-54-38-56(50-18-10-12-20-52(50)58(54)61-57(53)51-19-11-9-17-49(51)55)60(46-31-23-40(2)24-32-46)48-35-27-44(28-36-48)42-15-7-4-8-16-42/h5*3-38H,1-2H3
InChIKeyVXFSUFBBUIZQTG-UHFFFAOYSA-N
XLogP83.91
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003914.93
LogP ≤ 583.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The IUPAC name of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (CID 161424945) is 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.
What is the SMILES notation for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The canonical SMILES for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4oc3c3ccccc23)cc1.Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2cccc(-c3ccccc3)c2)c2cc3c4cc(N(c5cccc(C)c5)c5cccc(-c6ccccc6)c5)c5ccccc5c4oc3c3ccccc23)c1.Cc1cccc(N(c2ccccc2-c2ccccc2)c2cc3c4cc(N(c5cccc(C)c5)c5ccccc5-c5ccccc5)c5ccccc5c4oc3c3ccccc23)c1.Cc1ccccc1N(c1ccccc1-c1ccccc1)c1cc2c3cc(N(c4ccccc4C)c4ccccc4-c4ccccc4)c4ccccc4c3oc2c2ccccc12.
What is the InChIKey of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The InChIKey is VXFSUFBBUIZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C58H42N2O/c1-39-21-9-17-33-51(39)59(53-35-19-15-27-43(53)41-23-5-3-6-24-41)55-37-49-50-38-56(46-30-12-14-32-48(46)58(50)61-57(49)47-31-13-11-29-45(47)55)60(52-34-18-10-22-40(52)2)54-36-20-16-28-44(54)42-25-7-4-8-26-42;1-39-17-13-25-45(33-39)59(47-27-15-23-43(35-47)41-19-5-3-6-20-41)55-37-53-54-38-56(50-30-10-12-32-52(50)58(54)61-57(53)51-31-11-9-29-49(51)55)60(46-26-14-18-40(2)34-46)48-28-16-24-44(36-48)42-21-7-4-8-22-42;1-39-19-17-25-43(35-39)59(53-33-15-13-27-45(53)41-21-5-3-6-22-41)55-37-51-52-38-56(48-30-10-12-32-50(48)58(52)61-57(51)49-31-11-9-29-47(49)55)60(44-26-18-20-40(2)36-44)54-34-16-14-28-46(54)42-23-7-4-8-24-42;1-39-15-13-21-47(35-39)59(45-31-27-43(28-32-45)41-17-5-3-6-18-41)55-37-53-54-38-56(50-24-10-12-26-52(50)58(54)61-57(53)51-25-11-9-23-49(51)55)60(48-22-14-16-40(2)36-48)46-33-29-44(30-34-46)42-19-7-4-8-20-42;1-39-21-29-45(30-22-39)59(47-33-25-43(26-34-47)41-13-5-3-6-14-41)55-37-53-54-38-56(50-18-10-12-20-52(50)58(54)61-57(53)51-19-11-9-17-49(51)55)60(46-31-23-40(2)24-32-46)48-35-27-44(28-36-48)42-15-7-4-8-16-42/h5*3-38H,1-2H3.
What are the key properties of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine has a molecular weight of 3914.93 g/mol, XLogP of 83.91, 40 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(3-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 161424945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).