8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene

C132H99Cl2N3O6 — CID 157197058

IUPAC8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.CC(C)(C)c1ccc(Nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Clc1ccc2c(c1)oc1cc3c(cc12)oc1cc2c(cc13)oc1cc(Cl)ccc12
InChIInChI=1S/C80H62N2O3.C28H27N.C24H10Cl2O3/c1-79(2,3)59-29-37-63(38-30-59)81(61-33-25-57(26-34-61)55-21-17-53(18-22-55)51-13-9-7-10-14-51)65-41-43-67-69-47-77-71(49-75(69)83-73(67)45-65)72-50-76-70(48-78(72)85-77)68-44-42-66(46-74(68)84-76)82(64-39-31-60(32-40-64)80(4,5)6)62-35-27-58(28-36-62)56-23-19-54(20-24-56)52-15-11-8-12-16-52;1-28(2,3)25-15-19-27(20-16-25)29-26-17-13-24(14-18-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21;25-11-1-3-13-15-7-23-17(9-21(15)27-19(13)5-11)18-10-22-16(8-24(18)29-23)14-4-2-12(26)6-20(14)28-22/h7-50H,1-6H3;4-20,29H,1-3H3;1-10H
InChIKeyAQJGOTRENVJYLQ-UHFFFAOYSA-N
MW1894.16 g/mol
LogP40.34
Rot. Bonds14

About 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene

8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene (PubChem CID 157197058) has the molecular formula C132H99Cl2N3O6 and a molecular weight of 1894.16 g/mol. Its IUPAC name is 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene.

Molecular Properties

Compound Name8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene
PubChem CID157197058
Molecular FormulaC132H99Cl2N3O6
Molecular Weight1894.16 g/mol
Exact Mass1891.69
IUPAC Name8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.CC(C)(C)c1ccc(Nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Clc1ccc2c(c1)oc1cc3c(cc12)oc1cc2c(cc13)oc1cc(Cl)ccc12
InChIInChI=1S/C80H62N2O3.C28H27N.C24H10Cl2O3/c1-79(2,3)59-29-37-63(38-30-59)81(61-33-25-57(26-34-61)55-21-17-53(18-22-55)51-13-9-7-10-14-51)65-41-43-67-69-47-77-71(49-75(69)83-73(67)45-65)72-50-76-70(48-78(72)85-77)68-44-42-66(46-74(68)84-76)82(64-39-31-60(32-40-64)80(4,5)6)62-35-27-58(28-36-62)56-23-19-54(20-24-56)52-15-11-8-12-16-52;1-28(2,3)25-15-19-27(20-16-25)29-26-17-13-24(14-18-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21;25-11-1-3-13-15-7-23-17(9-21(15)27-19(13)5-11)18-10-22-16(8-24(18)29-23)14-4-2-12(26)6-20(14)28-22/h7-50H,1-6H3;4-20,29H,1-3H3;1-10H
InChIKeyAQJGOTRENVJYLQ-UHFFFAOYSA-N
XLogP40.34
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001894.16
LogP ≤ 540.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 160571824
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N,16-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050331
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine
CID 146666134
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
4-[3-(4-anilinophenyl)-5-phenylphenyl]-N-phenylaniline;N-[4-[3-(4-anilinophenyl)-5-phenylphenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 157486265
7-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-7,19-diamine
CID 155007853
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene?
The IUPAC name of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene (CID 157197058) is 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene.
What is the SMILES notation for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene?
The canonical SMILES for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(C(C)(C)C)cc4)ccc23)cc1.CC(C)(C)c1ccc(Nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Clc1ccc2c(c1)oc1cc3c(cc12)oc1cc2c(cc13)oc1cc(Cl)ccc12.
What is the InChIKey of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene?
The InChIKey is AQJGOTRENVJYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2O3.C28H27N.C24H10Cl2O3/c1-79(2,3)59-29-37-63(38-30-59)81(61-33-25-57(26-34-61)55-21-17-53(18-22-55)51-13-9-7-10-14-51)65-41-43-67-69-47-77-71(49-75(69)83-73(67)45-65)72-50-76-70(48-78(72)85-77)68-44-42-66(46-74(68)84-76)82(64-39-31-60(32-40-64)80(4,5)6)62-35-27-58(28-36-62)56-23-19-54(20-24-56)52-15-11-8-12-16-52;1-28(2,3)25-15-19-27(20-16-25)29-26-17-13-24(14-18-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21;25-11-1-3-13-15-7-23-17(9-21(15)27-19(13)5-11)18-10-22-16(8-24(18)29-23)14-4-2-12(26)6-20(14)28-22/h7-50H,1-6H3;4-20,29H,1-3H3;1-10H.
What are the key properties of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene?
8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene has a molecular weight of 1894.16 g/mol, XLogP of 40.34, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene is sourced from PubChem (CID 157197058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).