About 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane
5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane (PubChem CID 159555174) has the molecular formula C222H157FN6Si
and a molecular weight of 2955.82 g/mol. Its IUPAC name is 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane.
Frequently Asked Questions
What is the IUPAC name of 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane?
The IUPAC name of 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane (CID 159555174) is 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane.
What is the SMILES notation for 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane?
The canonical SMILES for 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane is CC(C)(C)c1cc2c3ccccc3n3c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5)cc4c(c1)c23.CC(C)(C)c1ccc2c(c1)c1cccc3c4cc(-c5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5)ccc4n2c31.C[Si](C)(C)c1ccc2c(c1)c1cccc3c4cc(-c5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5)ccc4n2c31.Fc1cccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4)c3)cc2)c1.N#Cc1cc2c3ccccc3n3c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5)cc4c(c1)c23.
What is the InChIKey of 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane?
The InChIKey is MFWXJFNJAOVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H35N.C45H35NSi.C43H26N2.C42H26FN/c1-46(2,3)38-23-25-44-42(29-38)40-17-9-16-39-41-28-37(22-24-43(41)47(44)45(39)40)36-15-8-14-35(27-36)34-13-7-12-33(26-34)32-20-18-31(19-21-32)30-10-5-4-6-11-30;1-46(2,3)38-28-41-39-17-7-8-18-43(39)47-44-24-23-37(27-40(44)42(29-38)45(41)47)36-16-10-15-35(26-36)34-14-9-13-33(25-34)32-21-19-31(20-22-32)30-11-5-4-6-12-30;1-47(2,3)38-23-25-44-42(29-38)40-17-9-16-39-41-28-37(22-24-43(41)46(44)45(39)40)36-15-8-14-35(27-36)34-13-7-12-33(26-34)32-20-18-31(19-21-32)30-10-5-4-6-11-30;44-27-28-22-39-37-14-4-5-15-41(37)45-42-21-20-36(26-38(42)40(23-28)43(39)45)35-13-7-12-34(25-35)33-11-6-10-32(24-33)31-18-16-30(17-19-31)29-8-2-1-3-9-29;43-35-12-5-11-33(25-35)28-19-17-27(18-20-28)29-7-3-8-30(23-29)31-9-4-10-32(24-31)34-21-22-41-39(26-34)38-15-6-14-37-36-13-1-2-16-40(36)44(41)42(37)38/h3*4-29H,1-3H3;1-26H;1-26H.
What are the key properties of 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane?
5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane has a molecular weight of 2955.82 g/mol, XLogP of 60.67, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-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;10-tert-butyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene-10-carbonitrile;trimethyl-[15-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-5-yl]silane is sourced from PubChem (CID 159555174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).