6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C152H108N4O6 — CID 161325238

IUPAC6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2c(-c5ccccc5)cccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3
InChIInChI=1S/C82H58N2O3.C70H50N2O3/c1-81(2)67-49-55(83(69-41-19-17-33-57(69)51-25-9-5-10-26-51)71-43-23-39-63-61-37-21-35-59(75(61)85-77(63)71)53-29-13-7-14-30-53)45-47-65(67)79-73(81)74-80(87-79)66-48-46-56(50-68(66)82(74,3)4)84(70-42-20-18-34-58(70)52-27-11-6-12-28-52)72-44-24-40-64-62-38-22-36-60(76(62)86-78(64)72)54-31-15-8-16-32-54;1-69(2)55-41-45(71(57-31-15-11-25-47(57)43-21-7-5-8-22-43)59-33-19-29-51-49-27-13-17-35-61(49)73-65(51)59)37-39-53(55)67-63(69)64-68(75-67)54-40-38-46(42-56(54)70(64,3)4)72(58-32-16-12-26-48(58)44-23-9-6-10-24-44)60-34-20-30-52-50-28-14-18-36-62(50)74-66(52)60/h5-50H,1-4H3;5-42H,1-4H3
InChIKeyVKRHFPJDISORFD-UHFFFAOYSA-N
MW2086.56 g/mol
LogP43.26
Rot. Bonds18

About 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 161325238) has the molecular formula C152H108N4O6 and a molecular weight of 2086.56 g/mol. Its IUPAC name is 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
PubChem CID161325238
Molecular FormulaC152H108N4O6
Molecular Weight2086.56 g/mol
Exact Mass2084.83
IUPAC Name6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2c(-c5ccccc5)cccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3
InChIInChI=1S/C82H58N2O3.C70H50N2O3/c1-81(2)67-49-55(83(69-41-19-17-33-57(69)51-25-9-5-10-26-51)71-43-23-39-63-61-37-21-35-59(75(61)85-77(63)71)53-29-13-7-14-30-53)45-47-65(67)79-73(81)74-80(87-79)66-48-46-56(50-68(66)82(74,3)4)84(70-42-20-18-34-58(70)52-27-11-6-12-28-52)72-44-24-40-64-62-38-22-36-60(76(62)86-78(64)72)54-31-15-8-16-32-54;1-69(2)55-41-45(71(57-31-15-11-25-47(57)43-21-7-5-8-22-43)59-33-19-29-51-49-27-13-17-35-61(49)73-65(51)59)37-39-53(55)67-63(69)64-68(75-67)54-40-38-46(42-56(54)70(64,3)4)72(58-32-16-12-26-48(58)44-23-9-6-10-24-44)60-34-20-30-52-50-28-14-18-36-62(50)74-66(52)60/h5-50H,1-4H3;5-42H,1-4H3
InChIKeyVKRHFPJDISORFD-UHFFFAOYSA-N
XLogP43.26
TPSA91.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002086.56
LogP ≤ 543.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine with MolForge

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Related Compounds

16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 160779183
16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661115
6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 159791448
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
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
CID 118633607
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321641
7-[3-[dibenzofuran-4-yl-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]amino]-4-phenylphenyl]-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 139469393
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The IUPAC name of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 161325238) is 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2c(-c5ccccc5)cccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3.
What is the InChIKey of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The InChIKey is VKRHFPJDISORFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N2O3.C70H50N2O3/c1-81(2)67-49-55(83(69-41-19-17-33-57(69)51-25-9-5-10-26-51)71-43-23-39-63-61-37-21-35-59(75(61)85-77(63)71)53-29-13-7-14-30-53)45-47-65(67)79-73(81)74-80(87-79)66-48-46-56(50-68(66)82(74,3)4)84(70-42-20-18-34-58(70)52-27-11-6-12-28-52)72-44-24-40-64-62-38-22-36-60(76(62)86-78(64)72)54-31-15-8-16-32-54;1-69(2)55-41-45(71(57-31-15-11-25-47(57)43-21-7-5-8-22-43)59-33-19-29-51-49-27-13-17-35-61(49)73-65(51)59)37-39-53(55)67-63(69)64-68(75-67)54-40-38-46(42-56(54)70(64,3)4)72(58-32-16-12-26-48(58)44-23-9-6-10-24-44)60-34-20-30-52-50-28-14-18-36-62(50)74-66(52)60/h5-50H,1-4H3;5-42H,1-4H3.
What are the key properties of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 2086.56 g/mol, XLogP of 43.26, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 161325238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).