6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine

C259H196F2N14Si2 — CID 167604893

IUPAC6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine
SMILESCc1ccc(-c2ccccc2)cc1C(c1cc(-c2ccccc2)ccc1C)c1cccc2c1c1cccc3c4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6)ccc5C)cccc4n2c13.Cc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cccc5n3c24)c1.Cc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5[Si](C)(C)C)cccc4n2c13.Fc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5F)cccc4n2c13.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cccc6n4c35)cc2)cc1
InChIInChI=1S/C71H54N2.C54H37N3.2C46H39N3Si.C42H27F2N3/c1-46-34-38-54(50-20-9-5-10-21-50)42-61(46)68(62-43-55(39-35-47(62)2)51-22-11-6-12-23-51)58-28-18-31-63-69(58)59-29-17-30-60-70-64(32-19-33-65(70)73(63)71(59)60)72(66-44-56(40-36-48(66)3)52-24-13-7-14-25-52)67-45-57(41-37-49(67)4)53-26-15-8-16-27-53;1-5-16-38(17-6-1)40-30-34-44(35-31-40)55(42-20-9-3-10-21-42)48-26-14-28-50-52(48)46-24-13-25-47-53-49(27-15-29-51(53)57(50)54(46)47)56(43-22-11-4-12-23-43)45-36-32-41(33-37-45)39-18-7-2-8-19-39;1-32-16-11-21-35(30-32)47(33-17-7-5-8-18-33)40-26-14-28-42-44(40)38-24-13-25-39-45-41(27-15-29-43(45)49(42)46(38)39)48(34-19-9-6-10-20-34)36-22-12-23-37(31-36)50(2,3)4;1-32-18-11-12-25-37(32)47(33-19-7-5-8-20-33)39-27-16-29-41-44(39)35-23-15-24-36-45-40(28-17-30-42(45)49(41)46(35)36)48(34-21-9-6-10-22-34)38-26-13-14-31-43(38)50(2,3)4;43-32-20-7-9-22-34(32)45(28-14-3-1-4-15-28)36-24-12-26-38-40(36)30-18-11-19-31-41-37(25-13-27-39(41)47(38)42(30)31)46(29-16-5-2-6-17-29)35-23-10-8-21-33(35)44/h5-45,68H,1-4H3;1-37H;2*5-31H,1-4H3;1-27H
InChIKeyKGBGHNFMRUHPMX-UHFFFAOYSA-N
MW3598.68 g/mol
LogP71.81
Rot. Bonds38

About 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine

6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine (PubChem CID 167604893) has the molecular formula C259H196F2N14Si2 and a molecular weight of 3598.68 g/mol. Its IUPAC name is 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine.

Molecular Properties

Compound Name6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine
PubChem CID167604893
Molecular FormulaC259H196F2N14Si2
Molecular Weight3598.68 g/mol
Exact Mass3595.53
IUPAC Name6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine
SMILESCc1ccc(-c2ccccc2)cc1C(c1cc(-c2ccccc2)ccc1C)c1cccc2c1c1cccc3c4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6)ccc5C)cccc4n2c13.Cc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cccc5n3c24)c1.Cc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5[Si](C)(C)C)cccc4n2c13.Fc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5F)cccc4n2c13.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cccc6n4c35)cc2)cc1
InChIInChI=1S/C71H54N2.C54H37N3.2C46H39N3Si.C42H27F2N3/c1-46-34-38-54(50-20-9-5-10-21-50)42-61(46)68(62-43-55(39-35-47(62)2)51-22-11-6-12-23-51)58-28-18-31-63-69(58)59-29-17-30-60-70-64(32-19-33-65(70)73(63)71(59)60)72(66-44-56(40-36-48(66)3)52-24-13-7-14-25-52)67-45-57(41-37-49(67)4)53-26-15-8-16-27-53;1-5-16-38(17-6-1)40-30-34-44(35-31-40)55(42-20-9-3-10-21-42)48-26-14-28-50-52(48)46-24-13-25-47-53-49(27-15-29-51(53)57(50)54(46)47)56(43-22-11-4-12-23-43)45-36-32-41(33-37-45)39-18-7-2-8-19-39;1-32-16-11-21-35(30-32)47(33-17-7-5-8-18-33)40-26-14-28-42-44(40)38-24-13-25-39-45-41(27-15-29-43(45)49(42)46(38)39)48(34-19-9-6-10-20-34)36-22-12-23-37(31-36)50(2,3)4;1-32-18-11-12-25-37(32)47(33-19-7-5-8-20-33)39-27-16-29-41-44(39)35-23-15-24-36-45-40(28-17-30-42(45)49(41)46(35)36)48(34-21-9-6-10-22-34)38-26-13-14-31-43(38)50(2,3)4;43-32-20-7-9-22-34(32)45(28-14-3-1-4-15-28)36-24-12-26-38-40(36)30-18-11-19-31-41-37(25-13-27-39(41)47(38)42(30)31)46(29-16-5-2-6-17-29)35-23-10-8-21-33(35)44/h5-45,68H,1-4H3;1-37H;2*5-31H,1-4H3;1-27H
InChIKeyKGBGHNFMRUHPMX-UHFFFAOYSA-N
XLogP71.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms277
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003598.68
LogP ≤ 571.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine?
The IUPAC name of 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine (CID 167604893) is 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine.
What is the SMILES notation for 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine?
The canonical SMILES for 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine is Cc1ccc(-c2ccccc2)cc1C(c1cc(-c2ccccc2)ccc1C)c1cccc2c1c1cccc3c4c(N(c5cc(-c6ccccc6)ccc5C)c5cc(-c6ccccc6)ccc5C)cccc4n2c13.Cc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cccc([Si](C)(C)C)c6)cccc5n3c24)c1.Cc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5[Si](C)(C)C)cccc4n2c13.Fc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(N(c5ccccc5)c5ccccc5F)cccc4n2c13.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3c3cccc5c6c(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cccc6n4c35)cc2)cc1.
What is the InChIKey of 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine?
The InChIKey is KGBGHNFMRUHPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N2.C54H37N3.2C46H39N3Si.C42H27F2N3/c1-46-34-38-54(50-20-9-5-10-21-50)42-61(46)68(62-43-55(39-35-47(62)2)51-22-11-6-12-23-51)58-28-18-31-63-69(58)59-29-17-30-60-70-64(32-19-33-65(70)73(63)71(59)60)72(66-44-56(40-36-48(66)3)52-24-13-7-14-25-52)67-45-57(41-37-49(67)4)53-26-15-8-16-27-53;1-5-16-38(17-6-1)40-30-34-44(35-31-40)55(42-20-9-3-10-21-42)48-26-14-28-50-52(48)46-24-13-25-47-53-49(27-15-29-51(53)57(50)54(46)47)56(43-22-11-4-12-23-43)45-36-32-41(33-37-45)39-18-7-2-8-19-39;1-32-16-11-21-35(30-32)47(33-17-7-5-8-18-33)40-26-14-28-42-44(40)38-24-13-25-39-45-41(27-15-29-43(45)49(42)46(38)39)48(34-19-9-6-10-20-34)36-22-12-23-37(31-36)50(2,3)4;1-32-18-11-12-25-37(32)47(33-19-7-5-8-20-33)39-27-16-29-41-44(39)35-23-15-24-36-45-40(28-17-30-42(45)49(41)46(35)36)48(34-21-9-6-10-22-34)38-26-13-14-31-43(38)50(2,3)4;43-32-20-7-9-22-34(32)45(28-14-3-1-4-15-28)36-24-12-26-38-40(36)30-18-11-19-31-41-37(25-13-27-39(41)47(38)42(30)31)46(29-16-5-2-6-17-29)35-23-10-8-21-33(35)44/h5-45,68H,1-4H3;1-37H;2*5-31H,1-4H3;1-27H.
What are the key properties of 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine?
6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine has a molecular weight of 3598.68 g/mol, XLogP of 71.81, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,14-N-bis(2-fluorophenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-[bis(2-methyl-5-phenylphenyl)methyl]-N,N-bis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N-(2-methylphenyl)-6-N,14-N-diphenyl-14-N-(2-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;14-N-(3-methylphenyl)-6-N,14-N-diphenyl-6-N-(3-trimethylsilylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-6,14-diamine is sourced from PubChem (CID 167604893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).