About 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 159900382) has the molecular formula C305H206F2N12O5Si
and a molecular weight of 4185.16 g/mol. Its IUPAC name is 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
Frequently Asked Questions
What is the IUPAC name of 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The IUPAC name of 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 159900382) is 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
What is the SMILES notation for 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The canonical SMILES for 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is Cc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc4ccccc4c23)cc1.Fc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc(F)cc4)cc4ccccc4c23)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc(C#N)cc4)cc4ccccc4c23)cc1.c1ccc(C(c2cc3ccccc3c3c2Cc2c(C(c4ccccc4)c4cccc5c4ccc4ccccc45)cc4ccccc4c2-3)c2cccc3c2ccc2ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccc5ccccc5c4)cc4ccccc4c23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4cccc5ccccc45)cc4ccccc4c23)cc1.
What is the InChIKey of 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The InChIKey is NVWMNGBIQKUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42.2C52H34N2O.C48H40N2OSi.C46H28N4O.C44H28F2N2O/c1-3-19-42(20-4-1)60(54-31-15-29-50-46-25-11-7-17-40(46)33-35-52(50)54)56-37-44-23-9-13-27-48(44)62-58(56)39-59-57(38-45-24-10-14-28-49(45)63(59)62)61(43-21-5-2-6-22-43)55-32-16-30-51-47-26-12-8-18-41(47)34-36-53(51)55;1-3-23-39(24-4-1)53(45-31-15-21-35-17-7-11-27-41(35)45)47-33-37-19-9-13-29-43(37)49-50-44-30-14-10-20-38(44)34-48(52(50)55-51(47)49)54(40-25-5-2-6-26-40)46-32-16-22-36-18-8-12-28-42(36)46;1-3-21-41(22-4-1)53(43-29-27-35-15-7-9-17-37(35)31-43)47-33-39-19-11-13-25-45(39)49-50-46-26-14-12-20-40(46)34-48(52(50)55-51(47)49)54(42-23-5-2-6-24-42)44-30-28-36-16-8-10-18-38(36)32-44;1-33-23-25-38(26-24-33)49(36-17-7-5-8-18-36)43-31-34-15-11-13-21-41(34)45-46-42-22-14-12-16-35(42)32-44(48(46)51-47(43)45)50(37-19-9-6-10-20-37)39-27-29-40(30-28-39)52(2,3)4;1-48-34-22-26-38(27-23-34)50(36-16-6-3-7-17-36)42-29-33-13-9-11-19-40(33)44-43-39-18-10-8-12-32(39)28-41(45(43)51-46(42)44)49(35-14-4-2-5-15-35)37-24-20-31(30-47)21-25-37;45-31-19-23-35(24-20-31)47(33-13-3-1-4-14-33)39-27-29-11-7-9-17-37(29)41-42-38-18-10-8-12-30(38)28-40(44(42)49-43(39)41)48(34-15-5-2-6-16-34)36-25-21-32(46)22-26-36/h1-38,60-61H,39H2;2*1-34H;5-32H,1-4H3;2-29H;1-28H.
What are the key properties of 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 4185.16 g/mol, XLogP of 86.86, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,14-N-bis(4-fluorophenyl)-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10,14-bis[phenanthren-1-yl(phenyl)methyl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-N,14-N-dinaphthalen-1-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-dinaphthalen-2-yl-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]anilino)benzonitrile;10-N-(4-methylphenyl)-10-N,14-N-diphenyl-14-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 159900382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).