6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine

C270H190F2N12O6 — CID 158292297

IUPAC6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
SMILESCC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccc(F)cc9)c9ccc(C(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c6cccc7c8cc9ccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10c(CC)cccc%10%11)cc9cc8n(c5cc4c3)c67)cccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5cc6c7cccc8c9cc%10ccc(N(c%11ccccc%11)c%11cccc%12c%11oc%11c(-c%13ccccc%13)cccc%11%12)cc%10cc9n(c6cc5c4)c78)cccc23)cc1.c1ccc(N(c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9c(C%11CCCCC%11)cccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C74H57N3O2.C74H45N3O2.C66H45N3O2.C56H43F2N3/c2*1-5-18-46(19-6-1)56-26-13-30-60-62-32-16-34-66(73(62)78-71(56)60)75(52-22-9-3-10-23-52)54-38-36-48-42-64-58-28-15-29-59-65-43-49-37-39-55(41-51(49)45-69(65)77(70(58)59)68(64)44-50(48)40-54)76(53-24-11-4-12-25-53)67-35-17-33-63-61-31-14-27-57(72(61)79-74(63)67)47-20-7-2-8-21-47;1-3-40-16-11-24-52-54-26-14-28-58(65(54)70-63(40)52)67(46-18-7-5-8-19-46)48-32-30-42-36-56-50-22-13-23-51-57-37-43-31-33-49(35-45(43)39-61(57)69(62(50)51)60(56)38-44(42)34-48)68(47-20-9-6-10-21-47)59-29-15-27-55-53-25-12-17-41(4-2)64(53)71-66(55)59;1-34(2)36-8-18-44(19-9-36)59(46-24-14-42(57)15-25-46)48-22-12-38-30-52-50-6-5-7-51-53-31-39-13-23-49(29-41(39)33-55(53)61(56(50)51)54(52)32-40(38)28-48)60(47-26-16-43(58)17-27-47)45-20-10-37(11-21-45)35(3)4/h3-4,9-17,22-47H,1-2,5-8,18-21H2;1-45H;5-39H,3-4H2,1-2H3;5-35H,1-4H3
InChIKeyGLMRSKRZDHXCCA-UHFFFAOYSA-N
MW3736.56 g/mol
LogP78.81
Rot. Bonds32

About 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine

6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 158292297) has the molecular formula C270H190F2N12O6 and a molecular weight of 3736.56 g/mol. Its IUPAC name is 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine.

Molecular Properties

Compound Name6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
PubChem CID158292297
Molecular FormulaC270H190F2N12O6
Molecular Weight3736.56 g/mol
Exact Mass3733.49
IUPAC Name6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
SMILESCC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccc(F)cc9)c9ccc(C(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c6cccc7c8cc9ccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10c(CC)cccc%10%11)cc9cc8n(c5cc4c3)c67)cccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5cc6c7cccc8c9cc%10ccc(N(c%11ccccc%11)c%11cccc%12c%11oc%11c(-c%13ccccc%13)cccc%11%12)cc%10cc9n(c6cc5c4)c78)cccc23)cc1.c1ccc(N(c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9c(C%11CCCCC%11)cccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C74H57N3O2.C74H45N3O2.C66H45N3O2.C56H43F2N3/c2*1-5-18-46(19-6-1)56-26-13-30-60-62-32-16-34-66(73(62)78-71(56)60)75(52-22-9-3-10-23-52)54-38-36-48-42-64-58-28-15-29-59-65-43-49-37-39-55(41-51(49)45-69(65)77(70(58)59)68(64)44-50(48)40-54)76(53-24-11-4-12-25-53)67-35-17-33-63-61-31-14-27-57(72(61)79-74(63)67)47-20-7-2-8-21-47;1-3-40-16-11-24-52-54-26-14-28-58(65(54)70-63(40)52)67(46-18-7-5-8-19-46)48-32-30-42-36-56-50-22-13-23-51-57-37-43-31-33-49(35-45(43)39-61(57)69(62(50)51)60(56)38-44(42)34-48)68(47-20-9-6-10-21-47)59-29-15-27-55-53-25-12-17-41(4-2)64(53)71-66(55)59;1-34(2)36-8-18-44(19-9-36)59(46-24-14-42(57)15-25-46)48-22-12-38-30-52-50-6-5-7-51-53-31-39-13-23-49(29-41(39)33-55(53)61(56(50)51)54(52)32-40(38)28-48)60(47-26-16-43(58)17-27-47)45-20-10-37(11-21-45)35(3)4/h3-4,9-17,22-47H,1-2,5-8,18-21H2;1-45H;5-39H,3-4H2,1-2H3;5-35H,1-4H3
InChIKeyGLMRSKRZDHXCCA-UHFFFAOYSA-N
XLogP78.81
TPSA122.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003736.56
LogP ≤ 578.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 160839240
6-N,22-N-bis(4-fluorophenyl)-14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-methyldibenzofuran-4-yl)-6-N,22-N,14-triphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-phenyl-6-N,22-N-bis(4-propan-2-ylphenyl)-6-N,22-N-bis(4-trimethylsilylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 157112978
6-N,18-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 157354133
9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 138745154
13-N,28-N-bis(6-cyclohexyldibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506898
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
4-N,20-N-bis(6-cyclohexyldibenzofuran-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;4-N,20-N-bis(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-4-yl)-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(6-methyldibenzofuran-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 158493634
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
7,22-dicyclohexyl-13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343439
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14,24,29-tritert-butyl-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(2,5-diphenylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 159618691
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832

Frequently Asked Questions

What is the IUPAC name of 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?
The IUPAC name of 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine (CID 158292297) is 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine.
What is the SMILES notation for 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?
The canonical SMILES for 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccc(F)cc9)c9ccc(C(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c6cccc7c8cc9ccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10c(CC)cccc%10%11)cc9cc8n(c5cc4c3)c67)cccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5cc6c7cccc8c9cc%10ccc(N(c%11ccccc%11)c%11cccc%12c%11oc%11c(-c%13ccccc%13)cccc%11%12)cc%10cc9n(c6cc5c4)c78)cccc23)cc1.c1ccc(N(c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9c(C%11CCCCC%11)cccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?
The InChIKey is GLMRSKRZDHXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57N3O2.C74H45N3O2.C66H45N3O2.C56H43F2N3/c2*1-5-18-46(19-6-1)56-26-13-30-60-62-32-16-34-66(73(62)78-71(56)60)75(52-22-9-3-10-23-52)54-38-36-48-42-64-58-28-15-29-59-65-43-49-37-39-55(41-51(49)45-69(65)77(70(58)59)68(64)44-50(48)40-54)76(53-24-11-4-12-25-53)67-35-17-33-63-61-31-14-27-57(72(61)79-74(63)67)47-20-7-2-8-21-47;1-3-40-16-11-24-52-54-26-14-28-58(65(54)70-63(40)52)67(46-18-7-5-8-19-46)48-32-30-42-36-56-50-22-13-23-51-57-37-43-31-33-49(35-45(43)39-61(57)69(62(50)51)60(56)38-44(42)34-48)68(47-20-9-6-10-21-47)59-29-15-27-55-53-25-12-17-41(4-2)64(53)71-66(55)59;1-34(2)36-8-18-44(19-9-36)59(46-24-14-42(57)15-25-46)48-22-12-38-30-52-50-6-5-7-51-53-31-39-13-23-49(29-41(39)33-55(53)61(56(50)51)54(52)32-40(38)28-48)60(47-26-16-43(58)17-27-47)45-20-10-37(11-21-45)35(3)4/h3-4,9-17,22-47H,1-2,5-8,18-21H2;1-45H;5-39H,3-4H2,1-2H3;5-35H,1-4H3.
What are the key properties of 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?
6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 3736.56 g/mol, XLogP of 78.81, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 158292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).