N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine

C277H172N6O12 — CID 159683497

IUPACN,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4cc5ccccc5cc4oc3c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C53H35NO2.C50H31NO2.C48H29NO2.2C44H27NO2.C38H23NO2/c1-53(2)44-19-11-10-18-40(44)41-25-24-39(30-45(41)53)54(38-22-20-33(21-23-38)32-12-4-3-5-13-32)46-31-49-50(42-26-34-14-6-8-16-36(34)28-47(42)55-49)51-43-27-35-15-7-9-17-37(35)29-48(43)56-52(46)51;1-3-11-32(12-4-1)34-19-23-40(24-20-34)51(41-25-21-35(22-26-41)33-13-5-2-6-14-33)44-31-47-48(42-27-36-15-7-9-17-38(36)29-45(42)52-47)49-43-28-37-16-8-10-18-39(37)30-46(43)53-50(44)49;1-2-11-30(12-3-1)31-21-23-37(24-22-31)49(42-20-10-18-32-13-8-9-19-38(32)42)43-29-40-39-25-33-14-4-6-16-35(33)27-44(39)50-47(40)46-41-26-34-15-5-7-17-36(34)28-45(41)51-48(43)46;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)39-27-37-36-23-30-13-7-9-15-32(30)25-40(36)46-43(37)42-38-24-31-14-8-10-16-33(31)26-41(38)47-44(39)42;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)38-27-41-42(36-23-30-13-7-9-15-32(30)25-39(36)46-41)43-37-24-31-14-8-10-16-33(31)26-40(37)47-44(38)43;1-3-15-28(16-4-1)39(29-17-5-2-6-18-29)33-23-31-30-19-24-11-7-9-13-26(24)21-34(30)40-37(31)36-32-20-25-12-8-10-14-27(25)22-35(32)41-38(33)36/h3-31H,1-2H3;1-31H;1-29H;2*1-27H;1-23H
InChIKeyMVMLQEBMJIPFMK-UHFFFAOYSA-N
MW3776.45 g/mol
LogP81.03
Rot. Bonds24

About N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine

N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine (PubChem CID 159683497) has the molecular formula C277H172N6O12 and a molecular weight of 3776.45 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine
PubChem CID159683497
Molecular FormulaC277H172N6O12
Molecular Weight3776.45 g/mol
Exact Mass3773.30
IUPAC NameN,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4cc5ccccc5cc4oc3c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C53H35NO2.C50H31NO2.C48H29NO2.2C44H27NO2.C38H23NO2/c1-53(2)44-19-11-10-18-40(44)41-25-24-39(30-45(41)53)54(38-22-20-33(21-23-38)32-12-4-3-5-13-32)46-31-49-50(42-26-34-14-6-8-16-36(34)28-47(42)55-49)51-43-27-35-15-7-9-17-37(35)29-48(43)56-52(46)51;1-3-11-32(12-4-1)34-19-23-40(24-20-34)51(41-25-21-35(22-26-41)33-13-5-2-6-14-33)44-31-47-48(42-27-36-15-7-9-17-38(36)29-45(42)52-47)49-43-28-37-16-8-10-18-39(37)30-46(43)53-50(44)49;1-2-11-30(12-3-1)31-21-23-37(24-22-31)49(42-20-10-18-32-13-8-9-19-38(32)42)43-29-40-39-25-33-14-4-6-16-35(33)27-44(39)50-47(40)46-41-26-34-15-5-7-17-36(34)28-45(41)51-48(43)46;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)39-27-37-36-23-30-13-7-9-15-32(30)25-40(36)46-43(37)42-38-24-31-14-8-10-16-33(31)26-41(38)47-44(39)42;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)38-27-41-42(36-23-30-13-7-9-15-32(30)25-39(36)46-41)43-37-24-31-14-8-10-16-33(31)26-40(37)47-44(38)43;1-3-15-28(16-4-1)39(29-17-5-2-6-18-29)33-23-31-30-19-24-11-7-9-13-26(24)21-34(30)40-37(31)36-32-20-25-12-8-10-14-27(25)22-35(32)41-38(33)36/h3-31H,1-2H3;1-31H;1-29H;2*1-27H;1-23H
InChIKeyMVMLQEBMJIPFMK-UHFFFAOYSA-N
XLogP81.03
TPSA177.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms295
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003776.45
LogP ≤ 581.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine (CID 159683497) is N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5cc6ccccc6cc5oc4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4oc5cc6ccccc6cc5c4c4c3oc3cc5ccccc5cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4cc5ccccc5cc4oc3c3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine?
The InChIKey is MVMLQEBMJIPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2.C50H31NO2.C48H29NO2.2C44H27NO2.C38H23NO2/c1-53(2)44-19-11-10-18-40(44)41-25-24-39(30-45(41)53)54(38-22-20-33(21-23-38)32-12-4-3-5-13-32)46-31-49-50(42-26-34-14-6-8-16-36(34)28-47(42)55-49)51-43-27-35-15-7-9-17-37(35)29-48(43)56-52(46)51;1-3-11-32(12-4-1)34-19-23-40(24-20-34)51(41-25-21-35(22-26-41)33-13-5-2-6-14-33)44-31-47-48(42-27-36-15-7-9-17-38(36)29-45(42)52-47)49-43-28-37-16-8-10-18-39(37)30-46(43)53-50(44)49;1-2-11-30(12-3-1)31-21-23-37(24-22-31)49(42-20-10-18-32-13-8-9-19-38(32)42)43-29-40-39-25-33-14-4-6-16-35(33)27-44(39)50-47(40)46-41-26-34-15-5-7-17-36(34)28-45(41)51-48(43)46;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)39-27-37-36-23-30-13-7-9-15-32(30)25-40(36)46-43(37)42-38-24-31-14-8-10-16-33(31)26-41(38)47-44(39)42;1-3-11-28(12-4-1)29-19-21-35(22-20-29)45(34-17-5-2-6-18-34)38-27-41-42(36-23-30-13-7-9-15-32(30)25-39(36)46-41)43-37-24-31-14-8-10-16-33(31)26-40(37)47-44(38)43;1-3-15-28(16-4-1)39(29-17-5-2-6-18-29)33-23-31-30-19-24-11-7-9-13-26(24)21-34(30)40-37(31)36-32-20-25-12-8-10-14-27(25)22-35(32)41-38(33)36/h3-31H,1-2H3;1-31H;1-29H;2*1-27H;1-23H.
What are the key properties of N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine?
N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine has a molecular weight of 3776.45 g/mol, XLogP of 81.03, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N,N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27-tridecaen-15-amine;N-phenyl-N-(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-15-amine is sourced from PubChem (CID 159683497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).