N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C174H111N3O6 — CID 162048337

IUPACN-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6oc7ccc8oc9ccccc9c8c7c6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/3C58H37NO2/c1-4-14-38(15-5-1)41-24-28-45(29-25-41)59(47-35-43(39-16-6-2-7-17-39)34-44(36-47)40-18-8-3-9-19-40)46-30-26-42(27-31-46)51-37-55-56(49-21-11-10-20-48(49)51)58-54(61-55)33-32-53-57(58)50-22-12-13-23-52(50)60-53;1-3-13-38(14-4-1)39-23-25-40(26-24-39)41-27-31-44(32-28-41)59(51-21-11-9-17-46(51)42-15-5-2-6-16-42)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53;1-3-13-38(14-4-1)40-23-25-42(26-24-40)46-17-9-11-21-51(46)59(44-31-27-41(28-32-44)39-15-5-2-6-16-39)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53/h3*1-37H
InChIKeyYYFBAZMZLOKUEM-UHFFFAOYSA-N
MW2339.82 g/mol
LogP50.33
Rot. Bonds21

About N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 162048337) has the molecular formula C174H111N3O6 and a molecular weight of 2339.82 g/mol. Its IUPAC name is N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID162048337
Molecular FormulaC174H111N3O6
Molecular Weight2339.82 g/mol
Exact Mass2337.85
IUPAC NameN-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6oc7ccc8oc9ccccc9c8c7c6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/3C58H37NO2/c1-4-14-38(15-5-1)41-24-28-45(29-25-41)59(47-35-43(39-16-6-2-7-17-39)34-44(36-47)40-18-8-3-9-19-40)46-30-26-42(27-31-46)51-37-55-56(49-21-11-10-20-48(49)51)58-54(61-55)33-32-53-57(58)50-22-12-13-23-52(50)60-53;1-3-13-38(14-4-1)39-23-25-40(26-24-39)41-27-31-44(32-28-41)59(51-21-11-9-17-46(51)42-15-5-2-6-16-42)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53;1-3-13-38(14-4-1)40-23-25-42(26-24-40)46-17-9-11-21-51(46)59(44-31-27-41(28-32-44)39-15-5-2-6-16-39)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53/h3*1-37H
InChIKeyYYFBAZMZLOKUEM-UHFFFAOYSA-N
XLogP50.33
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002339.82
LogP ≤ 550.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
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,2-bis(4-phenylphenyl)aniline
CID 138651234
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 167121388
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062
2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170667914
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 176765087
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-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 162048337) is N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6oc7ccc8oc9ccccc9c8c7c6c6ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is YYFBAZMZLOKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C58H37NO2/c1-4-14-38(15-5-1)41-24-28-45(29-25-41)59(47-35-43(39-16-6-2-7-17-39)34-44(36-47)40-18-8-3-9-19-40)46-30-26-42(27-31-46)51-37-55-56(49-21-11-10-20-48(49)51)58-54(61-55)33-32-53-57(58)50-22-12-13-23-52(50)60-53;1-3-13-38(14-4-1)39-23-25-40(26-24-39)41-27-31-44(32-28-41)59(51-21-11-9-17-46(51)42-15-5-2-6-16-42)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53;1-3-13-38(14-4-1)40-23-25-42(26-24-40)46-17-9-11-21-51(46)59(44-31-27-41(28-32-44)39-15-5-2-6-16-39)45-33-29-43(30-34-45)50-37-55-56(48-19-8-7-18-47(48)50)58-54(61-55)36-35-53-57(58)49-20-10-12-22-52(49)60-53/h3*1-37H.
What are the key properties of N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 2339.82 g/mol, XLogP of 50.33, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 162048337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).