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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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,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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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 (PubChem CID 161092793) has the molecular formula C258H170F2N12O5
and a molecular weight of 3556.27 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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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.
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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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?
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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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 (CID 161092793) 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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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.
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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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?
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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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 is 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(-c2ccc(N(c3ccccc3)c3cc4ccccc4c4c3oc3c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc5ccccc5c34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4ccccc4c4c3oc3c(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc5ccccc5c34)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc3ccccc3c3c2oc2c(N(c4ccccc4)c4ccccc4-c4ccccc4)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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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?
The InChIKey is UHKBMDRTIJBAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H38N2O.C46H28N4O.C44H28F2N2O/c1-5-21-39(22-6-1)45-31-17-19-35-49(45)57(43-27-9-3-10-28-43)51-37-41-25-13-15-33-47(41)53-54-48-34-16-14-26-42(48)38-52(56(54)59-55(51)53)58(44-29-11-4-12-30-44)50-36-20-18-32-46(50)40-23-7-2-8-24-40;1-5-19-39(20-6-1)41-25-17-31-47(35-41)57(45-27-9-3-10-28-45)51-37-43-23-13-15-33-49(43)53-54-50-34-16-14-24-44(50)38-52(56(54)59-55(51)53)58(46-29-11-4-12-30-46)48-32-18-26-42(36-48)40-21-7-2-8-22-40;1-5-17-39(18-6-1)41-29-33-47(34-30-41)57(45-23-9-3-10-24-45)51-37-43-21-13-15-27-49(43)53-54-50-28-16-14-22-44(50)38-52(56(54)59-55(51)53)58(46-25-11-4-12-26-46)48-35-31-42(32-36-48)40-19-7-2-8-20-40;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/h3*1-38H;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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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,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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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 has a molecular weight of 3556.27 g/mol, XLogP of 74.86, 36 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-N,14-N-diphenyl-10-N,14-N-bis(2-phenylphenyl)-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-diphenyl-10-N,14-N-bis(3-phenylphenyl)-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-diphenyl-10-N,14-N-bis(4-phenylphenyl)-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 is sourced from PubChem (CID 161092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).