4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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

C296H184N8O12 — CID 160902009

IUPAC4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4c5cc(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3cc4c5cc(N(c6cc(-c7ccccc7)ccc6-c6ccccc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/2C80H50N2O3.2C68H42N2O3/c1-5-23-51(24-6-1)55-43-56(52-25-7-2-8-26-52)46-59(45-55)81(71-39-21-37-67-63-33-17-19-41-75(63)83-79(67)71)73-49-69-70-50-74(62-32-14-16-36-66(62)78(70)85-77(69)65-35-15-13-31-61(65)73)82(72-40-22-38-68-64-34-18-20-42-76(64)84-80(68)72)60-47-57(53-27-9-3-10-28-53)44-58(48-60)54-29-11-4-12-30-54;1-5-23-51(24-6-1)55-43-45-57(53-27-9-3-10-28-53)71(47-55)81(69-39-21-37-65-61-33-17-19-41-75(61)83-79(65)69)73-49-67-68-50-74(60-32-14-16-36-64(60)78(68)85-77(67)63-35-15-13-31-59(63)73)82(70-40-22-38-66-62-34-18-20-42-76(62)84-80(66)70)72-48-56(52-25-7-2-8-26-52)44-46-58(72)54-29-11-4-12-30-54;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-3-17-43(18-4-1)45-33-37-47(38-34-45)69(59-29-15-27-55-51-23-11-13-31-63(51)71-67(55)59)61-41-57-58-42-62(50-22-8-10-26-54(50)66(58)73-65(57)53-25-9-7-21-49(53)61)70(48-39-35-46(36-40-48)44-19-5-2-6-20-44)60-30-16-28-56-52-24-12-14-32-64(52)72-68(56)60/h2*1-50H;2*1-42H
InChIKeySPQAHGOXROZJKR-UHFFFAOYSA-N
MW4044.77 g/mol
LogP86.53
Rot. Bonds36

About 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 160902009) has the molecular formula C296H184N8O12 and a molecular weight of 4044.77 g/mol. Its IUPAC name is 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 CID160902009
Molecular FormulaC296H184N8O12
Molecular Weight4044.77 g/mol
Exact Mass4041.40
IUPAC Name4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4c5cc(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3cc4c5cc(N(c6cc(-c7ccccc7)ccc6-c6ccccc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/2C80H50N2O3.2C68H42N2O3/c1-5-23-51(24-6-1)55-43-56(52-25-7-2-8-26-52)46-59(45-55)81(71-39-21-37-67-63-33-17-19-41-75(63)83-79(67)71)73-49-69-70-50-74(62-32-14-16-36-66(62)78(70)85-77(69)65-35-15-13-31-61(65)73)82(72-40-22-38-68-64-34-18-20-42-76(64)84-80(68)72)60-47-57(53-27-9-3-10-28-53)44-58(48-60)54-29-11-4-12-30-54;1-5-23-51(24-6-1)55-43-45-57(53-27-9-3-10-28-53)71(47-55)81(69-39-21-37-65-61-33-17-19-41-75(61)83-79(65)69)73-49-67-68-50-74(60-32-14-16-36-64(60)78(68)85-77(67)63-35-15-13-31-59(63)73)82(70-40-22-38-66-62-34-18-20-42-76(62)84-80(66)70)72-48-56(52-25-7-2-8-26-52)44-46-58(72)54-29-11-4-12-30-54;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-3-17-43(18-4-1)45-33-37-47(38-34-45)69(59-29-15-27-55-51-23-11-13-31-63(51)71-67(55)59)61-41-57-58-42-62(50-22-8-10-26-54(50)66(58)73-65(57)53-25-9-7-21-49(53)61)70(48-39-35-46(36-40-48)44-19-5-2-6-20-44)60-30-16-28-56-52-24-12-14-32-64(52)72-68(56)60/h2*1-50H;2*1-42H
InChIKeySPQAHGOXROZJKR-UHFFFAOYSA-N
XLogP86.53
TPSA183.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004044.77
LogP ≤ 586.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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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Related Compounds

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N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 90262621
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
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N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-diphenyl-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 159039636
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
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4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,4-dimethylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-dimethylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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
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N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059

Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 160902009) is 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4c5cc(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3cc4c5cc(N(c6cc(-c7ccccc7)ccc6-c6ccccc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccc(N(c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 SPQAHGOXROZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H50N2O3.2C68H42N2O3/c1-5-23-51(24-6-1)55-43-56(52-25-7-2-8-26-52)46-59(45-55)81(71-39-21-37-67-63-33-17-19-41-75(63)83-79(67)71)73-49-69-70-50-74(62-32-14-16-36-66(62)78(70)85-77(69)65-35-15-13-31-61(65)73)82(72-40-22-38-68-64-34-18-20-42-76(64)84-80(68)72)60-47-57(53-27-9-3-10-28-53)44-58(48-60)54-29-11-4-12-30-54;1-5-23-51(24-6-1)55-43-45-57(53-27-9-3-10-28-53)71(47-55)81(69-39-21-37-65-61-33-17-19-41-75(61)83-79(65)69)73-49-67-68-50-74(60-32-14-16-36-64(60)78(68)85-77(67)63-35-15-13-31-59(63)73)82(70-40-22-38-66-62-34-18-20-42-76(62)84-80(66)70)72-48-56(52-25-7-2-8-26-52)44-46-58(72)54-29-11-4-12-30-54;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-3-17-43(18-4-1)45-33-37-47(38-34-45)69(59-29-15-27-55-51-23-11-13-31-63(51)71-67(55)59)61-41-57-58-42-62(50-22-8-10-26-54(50)66(58)73-65(57)53-25-9-7-21-49(53)61)70(48-39-35-46(36-40-48)44-19-5-2-6-20-44)60-30-16-28-56-52-24-12-14-32-64(52)72-68(56)60/h2*1-50H;2*1-42H.
What are the key properties of 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 4044.77 g/mol, XLogP of 86.53, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-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 160902009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).