4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline

C302H310Cl2N12O22S2 — CID 159453906

IUPAC4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline
SMILESCCC1(CC(=O)Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CC(=O)CC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(CSCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CSCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCC)COC6)cc5)cc4)cc3)cc2)COC1.ClCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCl)COC6)cc5)cc4)cc3)cc2)COC1
InChIInChI=1S/C52H52N2O4.C52H56N2O4.2C50H52N2O4.C50H52N2O2S2.C48H46Cl2N2O4/c1-3-51(35-57-36-51)33-49(55)31-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)54(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-50(56)34-52(4-2)37-58-38-52;1-3-31-51(37-57-38-51)35-55-33-41-15-23-47(24-16-41)53(45-11-7-5-8-12-45)49-27-19-43(20-28-49)44-21-29-50(30-22-44)54(46-13-9-6-10-14-46)48-25-17-42(18-26-48)34-56-36-52(32-4-2)39-58-40-52;2*1-3-49(35-55-36-49)33-53-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-54-34-50(4-2)37-56-38-50;1-3-49(33-53-34-49)37-55-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-56-38-50(4-2)35-54-36-50;49-29-47(33-55-34-47)31-53-27-37-11-19-43(20-12-37)51(41-7-3-1-4-8-41)45-23-15-39(16-24-45)40-17-25-46(26-18-40)52(42-9-5-2-6-10-42)44-21-13-38(14-22-44)28-54-32-48(30-50)35-56-36-48/h5-30H,3-4,31-38H2,1-2H3;5-30H,3-4,31-40H2,1-2H3;3*5-30H,3-4,31-38H2,1-2H3;1-26H,27-36H2
InChIKeyLTSKUSXWTAZJNP-UHFFFAOYSA-N
MW4594.90 g/mol
LogP74.92
Rot. Bonds104

About 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline

4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 159453906) has the molecular formula C302H310Cl2N12O22S2 and a molecular weight of 4594.90 g/mol. Its IUPAC name is 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline
PubChem CID159453906
Molecular FormulaC302H310Cl2N12O22S2
Molecular Weight4594.90 g/mol
Exact Mass4590.23
IUPAC Name4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline
SMILESCCC1(CC(=O)Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CC(=O)CC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(CSCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CSCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCC)COC6)cc5)cc4)cc3)cc2)COC1.ClCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCl)COC6)cc5)cc4)cc3)cc2)COC1
InChIInChI=1S/C52H52N2O4.C52H56N2O4.2C50H52N2O4.C50H52N2O2S2.C48H46Cl2N2O4/c1-3-51(35-57-36-51)33-49(55)31-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)54(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-50(56)34-52(4-2)37-58-38-52;1-3-31-51(37-57-38-51)35-55-33-41-15-23-47(24-16-41)53(45-11-7-5-8-12-45)49-27-19-43(20-28-49)44-21-29-50(30-22-44)54(46-13-9-6-10-14-46)48-25-17-42(18-26-48)34-56-36-52(32-4-2)39-58-40-52;2*1-3-49(35-55-36-49)33-53-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-54-34-50(4-2)37-56-38-50;1-3-49(33-53-34-49)37-55-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-56-38-50(4-2)35-54-36-50;49-29-47(33-55-34-47)31-53-27-37-11-19-43(20-12-37)51(41-7-3-1-4-8-41)45-23-15-39(16-24-45)40-17-25-46(26-18-40)52(42-9-5-2-6-10-42)44-21-13-38(14-22-44)28-54-32-48(30-50)35-56-36-48/h5-30H,3-4,31-38H2,1-2H3;5-30H,3-4,31-40H2,1-2H3;3*5-30H,3-4,31-38H2,1-2H3;1-26H,27-36H2
InChIKeyLTSKUSXWTAZJNP-UHFFFAOYSA-N
XLogP74.92
TPSA257.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds104
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004594.90
LogP ≤ 574.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline (CID 159453906) is 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline is CCC1(CC(=O)Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CC(=O)CC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCC1(CSCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(CSCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.CCCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCC)COC6)cc5)cc4)cc3)cc2)COC1.ClCC1(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCC6(CCl)COC6)cc5)cc4)cc3)cc2)COC1.
What is the InChIKey of 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline?
The InChIKey is LTSKUSXWTAZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N2O4.C52H56N2O4.2C50H52N2O4.C50H52N2O2S2.C48H46Cl2N2O4/c1-3-51(35-57-36-51)33-49(55)31-39-15-23-45(24-16-39)53(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)54(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-50(56)34-52(4-2)37-58-38-52;1-3-31-51(37-57-38-51)35-55-33-41-15-23-47(24-16-41)53(45-11-7-5-8-12-45)49-27-19-43(20-28-49)44-21-29-50(30-22-44)54(46-13-9-6-10-14-46)48-25-17-42(18-26-48)34-56-36-52(32-4-2)39-58-40-52;2*1-3-49(35-55-36-49)33-53-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-54-34-50(4-2)37-56-38-50;1-3-49(33-53-34-49)37-55-31-39-15-23-45(24-16-39)51(43-11-7-5-8-12-43)47-27-19-41(20-28-47)42-21-29-48(30-22-42)52(44-13-9-6-10-14-44)46-25-17-40(18-26-46)32-56-38-50(4-2)35-54-36-50;49-29-47(33-55-34-47)31-53-27-37-11-19-43(20-12-37)51(41-7-3-1-4-8-41)45-23-15-39(16-24-45)40-17-25-46(26-18-40)52(42-9-5-2-6-10-42)44-21-13-38(14-22-44)28-54-32-48(30-50)35-56-36-48/h5-30H,3-4,31-38H2,1-2H3;5-30H,3-4,31-40H2,1-2H3;3*5-30H,3-4,31-38H2,1-2H3;1-26H,27-36H2.
What are the key properties of 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline?
4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 4594.90 g/mol, XLogP of 74.92, 104 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]-N-[4-[4-(N-[4-[[3-(chloromethyl)oxetan-3-yl]methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;1-(3-ethyloxetan-3-yl)-3-[4-(N-[4-[4-(N-[4-[3-(3-ethyloxetan-3-yl)-2-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-2-one;bis(4-[(3-ethyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline);4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]-N-[4-[4-(N-[4-[(3-ethyloxetan-3-yl)methylsulfanylmethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-phenyl-4-[(3-propyloxetan-3-yl)methoxymethyl]-N-[4-[4-(N-[4-[(3-propyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 159453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).