4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline

C255H166F3N11O6Si — CID 160918781

IUPAC4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)c2ccc(-c3c(F)cc(F)cc3F)cc2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)cc3)cc2)cc1.c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C64H44N2OSi.C54H34N2O.C48H32N2O.C47H31N3O2.C42H25F3N2O/c1-4-17-54(18-5-1)68(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-40-38-53(39-41-57)65(51-34-29-46(30-35-51)49-28-27-45-15-10-11-16-48(45)43-49)52-36-31-47(32-37-52)50-33-42-62-61(44-50)66-60-25-13-12-23-58(60)59-24-14-26-63(67-62)64(59)66;1-3-14-42-36(11-1)13-9-19-43(42)37-25-30-41(31-26-37)55(50-34-39-12-2-4-15-44(39)45-16-5-6-17-46(45)50)40-28-23-35(24-29-40)38-27-32-52-51(33-38)56-49-21-8-7-18-47(49)48-20-10-22-53(57-52)54(48)56;1-3-10-33(11-4-1)34-18-20-35(21-19-34)36-22-27-40(28-23-36)49(39-12-5-2-6-13-39)41-29-24-37(25-30-41)38-26-31-46-45(32-38)50-44-16-8-7-14-42(44)43-15-9-17-47(51-46)48(43)50;1-2-7-39(8-3-1)51-40-24-22-38(23-25-40)49(36-18-13-32(14-19-36)34-27-29-48-30-28-34)37-20-15-33(16-21-37)35-17-26-45-44(31-35)50-43-11-5-4-9-41(43)42-10-6-12-46(52-45)47(42)50;43-29-24-35(44)41(36(45)25-29)27-15-20-32(21-16-27)46(30-7-2-1-3-8-30)31-18-13-26(14-19-31)28-17-22-39-38(23-28)47-37-11-5-4-9-33(37)34-10-6-12-40(48-39)42(34)47/h1-44H;1-34H;1-32H;1-31H;1-25H/i;;;;1D,2D,3D,7D,8D
InChIKeySRTHREZMKKOXDA-HNEFINAKSA-N
MW3570.31 g/mol
LogP67.73
Rot. Bonds32

About 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline

4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline (PubChem CID 160918781) has the molecular formula C255H166F3N11O6Si and a molecular weight of 3570.31 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline
PubChem CID160918781
Molecular FormulaC255H166F3N11O6Si
Molecular Weight3570.31 g/mol
Exact Mass3567.31
IUPAC Name4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)c2ccc(-c3c(F)cc(F)cc3F)cc2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)cc3)cc2)cc1.c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C64H44N2OSi.C54H34N2O.C48H32N2O.C47H31N3O2.C42H25F3N2O/c1-4-17-54(18-5-1)68(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-40-38-53(39-41-57)65(51-34-29-46(30-35-51)49-28-27-45-15-10-11-16-48(45)43-49)52-36-31-47(32-37-52)50-33-42-62-61(44-50)66-60-25-13-12-23-58(60)59-24-14-26-63(67-62)64(59)66;1-3-14-42-36(11-1)13-9-19-43(42)37-25-30-41(31-26-37)55(50-34-39-12-2-4-15-44(39)45-16-5-6-17-46(45)50)40-28-23-35(24-29-40)38-27-32-52-51(33-38)56-49-21-8-7-18-47(49)48-20-10-22-53(57-52)54(48)56;1-3-10-33(11-4-1)34-18-20-35(21-19-34)36-22-27-40(28-23-36)49(39-12-5-2-6-13-39)41-29-24-37(25-30-41)38-26-31-46-45(32-38)50-44-16-8-7-14-42(44)43-15-9-17-47(51-46)48(43)50;1-2-7-39(8-3-1)51-40-24-22-38(23-25-40)49(36-18-13-32(14-19-36)34-27-29-48-30-28-34)37-20-15-33(16-21-37)35-17-26-45-44(31-35)50-43-11-5-4-9-41(43)42-10-6-12-46(52-45)47(42)50;43-29-24-35(44)41(36(45)25-29)27-15-20-32(21-16-27)46(30-7-2-1-3-8-30)31-18-13-26(14-19-31)28-17-22-39-38(23-28)47-37-11-5-4-9-33(37)34-10-6-12-40(48-39)42(34)47/h1-44H;1-34H;1-32H;1-31H;1-25H/i;;;;1D,2D,3D,7D,8D
InChIKeySRTHREZMKKOXDA-HNEFINAKSA-N
XLogP67.73
TPSA109.12 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003570.31
LogP ≤ 567.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline with MolForge

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Related Compounds

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CID 157851849
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CID 158175997
7-Fluoro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;bis(6-(4-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione);5-methyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-11-thione;7-methyl-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(trifluoromethoxy)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
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2,4-Dimethylquinolin-8-ol;5-isocyano-2-methylquinolin-8-ol;4-methoxy-2-methylquinolin-8-ol;2-methylquinolin-8-ol;5-methylquinolin-8-ol;2-methyl-6-(trifluoromethyl)quinolin-8-ol;5-phenylquinolin-8-ol;quinolin-8-ol;zirconium
CID 159109510
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3,6-Di(carbazol-9-yl)-9-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,3,5,6-tetrafluorophenyl]carbazole;9-[4-(3,6-dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole;10-(4-phenoxazin-10-yl-2,5-dipyridin-2-ylphenyl)phenoxazine;10-(2,3,5,6-tetrafluoro-4-phenoxazin-10-ylphenyl)phenoxazine
CID 160544864
[4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
CID 161335915
4,5-Bis(10-phenylphenoxazin-3-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile;4,5-bis(10-phenylphenoxazin-3-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 160660765
bis[(2-methylquinolin-8-yl)oxy]-[4-[4-[3-phenyl-4-[2-phenyl-4-(6H-pyrido[2,1-a]isoindol-5-ium-9-yloxy)phenyl]phenoxy]phenyl]phenoxy]alumane
CID 58722708

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline?
The IUPAC name of 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline (CID 160918781) is 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)c2ccc(-c3c(F)cc(F)cc3F)cc2)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)cc3)cc2)cc1.c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)-n5c7ccccc7c7cccc(c75)O6)cc4)c4cc5ccccc5c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline?
The InChIKey is SRTHREZMKKOXDA-HNEFINAKSA-N. The full InChI is InChI=1S/C64H44N2OSi.C54H34N2O.C48H32N2O.C47H31N3O2.C42H25F3N2O/c1-4-17-54(18-5-1)68(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-40-38-53(39-41-57)65(51-34-29-46(30-35-51)49-28-27-45-15-10-11-16-48(45)43-49)52-36-31-47(32-37-52)50-33-42-62-61(44-50)66-60-25-13-12-23-58(60)59-24-14-26-63(67-62)64(59)66;1-3-14-42-36(11-1)13-9-19-43(42)37-25-30-41(31-26-37)55(50-34-39-12-2-4-15-44(39)45-16-5-6-17-46(45)50)40-28-23-35(24-29-40)38-27-32-52-51(33-38)56-49-21-8-7-18-47(49)48-20-10-22-53(57-52)54(48)56;1-3-10-33(11-4-1)34-18-20-35(21-19-34)36-22-27-40(28-23-36)49(39-12-5-2-6-13-39)41-29-24-37(25-30-41)38-26-31-46-45(32-38)50-44-16-8-7-14-42(44)43-15-9-17-47(51-46)48(43)50;1-2-7-39(8-3-1)51-40-24-22-38(23-25-40)49(36-18-13-32(14-19-36)34-27-29-48-30-28-34)37-20-15-33(16-21-37)35-17-26-45-44(31-35)50-43-11-5-4-9-41(43)42-10-6-12-46(52-45)47(42)50;43-29-24-35(44)41(36(45)25-29)27-15-20-32(21-16-27)46(30-7-2-1-3-8-30)31-18-13-26(14-19-31)28-17-22-39-38(23-28)47-37-11-5-4-9-33(37)34-10-6-12-40(48-39)42(34)47/h1-44H;1-34H;1-32H;1-31H;1-25H/i;;;;1D,2D,3D,7D,8D.
What are the key properties of 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline?
4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline has a molecular weight of 3570.31 g/mol, XLogP of 67.73, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]phenanthren-9-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;2,3,4,5,6-pentadeuterio-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline is sourced from PubChem (CID 160918781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).