6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C208H128N4O8S — CID 158840714

IUPAC6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7ccc8ccc9oc%10ccccc%10c9c8c7c56)c4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)ccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7oc8ccc9ccc%10oc%11ccccc%11c%10c9c8c67)cc5)cc4)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C60H37NO2.C58H35NO2S.C46H29NO2.C44H27NO2/c1-3-14-47-40(10-1)12-7-17-48(47)42-28-34-46(35-29-42)61(52-19-8-13-41-11-2-4-15-49(41)52)45-32-26-39(27-33-45)38-22-24-43(25-23-38)50-18-9-21-54-58(50)60-56(63-54)37-31-44-30-36-55-59(57(44)60)51-16-5-6-20-53(51)62-55;1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)59(48-19-9-18-46-45-15-5-7-22-53(45)62-58(46)48)43-14-8-13-41(35-43)44-17-10-21-50-55(44)57-52(61-50)34-30-40-29-33-51-56(54(40)57)47-16-4-6-20-49(47)60-51;1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-19-10-13-32(29-36)31-12-9-14-33(28-31)37-21-11-23-40-44(37)46-42(49-40)27-25-30-24-26-41-45(43(30)46)38-20-7-8-22-39(38)48-41;1-3-10-32(11-4-1)45(33-12-5-2-6-13-33)34-23-20-29-26-31(19-18-30(29)27-34)35-15-9-17-38-42(35)44-40(47-38)25-22-28-21-24-39-43(41(28)44)36-14-7-8-16-37(36)46-39/h1-37H;1-35H;1-29H;1-27H
InChIKeyIYEYUQZDZSJGRR-UHFFFAOYSA-N
MW2843.40 g/mol
LogP61.26
Rot. Bonds21

About 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 158840714) has the molecular formula C208H128N4O8S and a molecular weight of 2843.40 g/mol. Its IUPAC name is 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID158840714
Molecular FormulaC208H128N4O8S
Molecular Weight2843.40 g/mol
Exact Mass2840.95
IUPAC Name6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7ccc8ccc9oc%10ccccc%10c9c8c7c56)c4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)ccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7oc8ccc9ccc%10oc%11ccccc%11c%10c9c8c67)cc5)cc4)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C60H37NO2.C58H35NO2S.C46H29NO2.C44H27NO2/c1-3-14-47-40(10-1)12-7-17-48(47)42-28-34-46(35-29-42)61(52-19-8-13-41-11-2-4-15-49(41)52)45-32-26-39(27-33-45)38-22-24-43(25-23-38)50-18-9-21-54-58(50)60-56(63-54)37-31-44-30-36-55-59(57(44)60)51-16-5-6-20-53(51)62-55;1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)59(48-19-9-18-46-45-15-5-7-22-53(45)62-58(46)48)43-14-8-13-41(35-43)44-17-10-21-50-55(44)57-52(61-50)34-30-40-29-33-51-56(54(40)57)47-16-4-6-20-49(47)60-51;1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-19-10-13-32(29-36)31-12-9-14-33(28-31)37-21-11-23-40-44(37)46-42(49-40)27-25-30-24-26-41-45(43(30)46)38-20-7-8-22-39(38)48-41;1-3-10-32(11-4-1)45(33-12-5-2-6-13-33)34-23-20-29-26-31(19-18-30(29)27-34)35-15-9-17-38-42(35)44-40(47-38)25-22-28-21-24-39-43(41(28)44)36-14-7-8-16-37(36)46-39/h1-37H;1-35H;1-29H;1-27H
InChIKeyIYEYUQZDZSJGRR-UHFFFAOYSA-N
XLogP61.26
TPSA118.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.40
LogP ≤ 561.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 158680802
N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 165033108
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 177131025
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 165037303
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 167086422
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209

Frequently Asked Questions

What is the IUPAC name of 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 158840714) is 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7ccc8ccc9oc%10ccccc%10c9c8c7c56)c4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)ccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)c3)c2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7oc8ccc9ccc%10oc%11ccccc%11c%10c9c8c67)cc5)cc4)c4cccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is IYEYUQZDZSJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2.C58H35NO2S.C46H29NO2.C44H27NO2/c1-3-14-47-40(10-1)12-7-17-48(47)42-28-34-46(35-29-42)61(52-19-8-13-41-11-2-4-15-49(41)52)45-32-26-39(27-33-45)38-22-24-43(25-23-38)50-18-9-21-54-58(50)60-56(63-54)37-31-44-30-36-55-59(57(44)60)51-16-5-6-20-53(51)62-55;1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)59(48-19-9-18-46-45-15-5-7-22-53(45)62-58(46)48)43-14-8-13-41(35-43)44-17-10-21-50-55(44)57-52(61-50)34-30-40-29-33-51-56(54(40)57)47-16-4-6-20-49(47)60-51;1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-19-10-13-32(29-36)31-12-9-14-33(28-31)37-21-11-23-40-44(37)46-42(49-40)27-25-30-24-26-41-45(43(30)46)38-20-7-8-22-39(38)48-41;1-3-10-32(11-4-1)45(33-12-5-2-6-13-33)34-23-20-29-26-31(19-18-30(29)27-34)35-15-9-17-38-42(35)44-40(47-38)25-22-28-21-24-39-43(41(28)44)36-14-7-8-16-37(36)46-39/h1-37H;1-35H;1-29H;1-27H.
What are the key properties of 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2843.40 g/mol, XLogP of 61.26, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 158840714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).