6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine

C190H218N8O8 — CID 162060641

IUPAC6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine
SMILESC.C.C.C.C.C.C.C=c1ccc2c(c1)Oc1cc(NCC)c(C)cc1C=2C.CC(C)=c1ccc2c(c1)Oc1cc(N)ccc1C=2C.CC1=c2cc3c(cc2Oc2cc4c(cc21)-c1ccccc1CN4)=CCc1ccccc1-3.CC1=c2cc3c4c(c2Oc2cc(N(C)C)ccc21)CCCC=4CCC3.CC1=c2cc3c4c(c2Oc2cc(N)ccc21)CCCC=4CCC3.CCC1=c2cc3c(cc2C(C)=CC1(C)C)=C(C)c1cc2c(cc1O3)N(CC)C(C)(C)C=C2C.CCNc1cc2c(cc1C)C(C)=c1cc3c4c(c1O2)CCCC=4CCC3.CCNc1cc2c(cc1C)C(C)=c1ccc(=C(C)C)cc1O2
InChIInChI=1S/C31H37NO.C29H21NO.C24H27NO.C23H25NO.C21H21NO.C20H23NO.C18H19NO.C17H17NO.7CH4/c1-10-26-25-14-28-23(12-21(25)18(3)16-30(26,6)7)20(5)24-13-22-19(4)17-31(8,9)32(11-2)27(22)15-29(24)33-28;1-17-23-13-25-19(11-10-18-6-2-4-8-21(18)25)12-28(23)31-29-15-27-26(14-24(17)29)22-9-5-3-7-20(22)16-30-27;1-4-25-21-13-22-19(11-14(21)2)15(3)20-12-17-9-5-7-16-8-6-10-18(23(16)17)24(20)26-22;1-14-18-11-10-17(24(2)3)13-21(18)25-23-19-9-5-7-15-6-4-8-16(22(15)19)12-20(14)23;1-12-16-9-8-15(22)11-19(16)23-21-17-7-3-5-13-4-2-6-14(20(13)17)10-18(12)21;1-6-21-18-11-20-17(9-13(18)4)14(5)16-8-7-15(12(2)3)10-19(16)22-20;1-5-19-16-10-18-15(9-12(16)3)13(4)14-7-6-11(2)8-17(14)20-18;1-10(2)12-4-6-14-11(3)15-7-5-13(18)9-17(15)19-16(14)8-12;;;;;;;/h12-17H,10-11H2,1-9H3;2-9,11-15,30H,10,16H2,1H3;11-13,25H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;8-11H,2-7,22H2,1H3;7-11,21H,6H2,1-5H3;6-10,19H,2,5H2,1,3-4H3;4-9H,18H2,1-3H3;7*1H4
InChIKeyYZUHPNRNKGUYIL-UHFFFAOYSA-N
MW2741.88 g/mol
LogP38.88
Rot. Bonds9

About 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine

6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine (PubChem CID 162060641) has the molecular formula C190H218N8O8 and a molecular weight of 2741.88 g/mol. Its IUPAC name is 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine.

Molecular Properties

Compound Name6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine
PubChem CID162060641
Molecular FormulaC190H218N8O8
Molecular Weight2741.88 g/mol
Exact Mass2739.69
IUPAC Name6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine
SMILESC.C.C.C.C.C.C.C=c1ccc2c(c1)Oc1cc(NCC)c(C)cc1C=2C.CC(C)=c1ccc2c(c1)Oc1cc(N)ccc1C=2C.CC1=c2cc3c(cc2Oc2cc4c(cc21)-c1ccccc1CN4)=CCc1ccccc1-3.CC1=c2cc3c4c(c2Oc2cc(N(C)C)ccc21)CCCC=4CCC3.CC1=c2cc3c4c(c2Oc2cc(N)ccc21)CCCC=4CCC3.CCC1=c2cc3c(cc2C(C)=CC1(C)C)=C(C)c1cc2c(cc1O3)N(CC)C(C)(C)C=C2C.CCNc1cc2c(cc1C)C(C)=c1cc3c4c(c1O2)CCCC=4CCC3.CCNc1cc2c(cc1C)C(C)=c1ccc(=C(C)C)cc1O2
InChIInChI=1S/C31H37NO.C29H21NO.C24H27NO.C23H25NO.C21H21NO.C20H23NO.C18H19NO.C17H17NO.7CH4/c1-10-26-25-14-28-23(12-21(25)18(3)16-30(26,6)7)20(5)24-13-22-19(4)17-31(8,9)32(11-2)27(22)15-29(24)33-28;1-17-23-13-25-19(11-10-18-6-2-4-8-21(18)25)12-28(23)31-29-15-27-26(14-24(17)29)22-9-5-3-7-20(22)16-30-27;1-4-25-21-13-22-19(11-14(21)2)15(3)20-12-17-9-5-7-16-8-6-10-18(23(16)17)24(20)26-22;1-14-18-11-10-17(24(2)3)13-21(18)25-23-19-9-5-7-15-6-4-8-16(22(15)19)12-20(14)23;1-12-16-9-8-15(22)11-19(16)23-21-17-7-3-5-13-4-2-6-14(20(13)17)10-18(12)21;1-6-21-18-11-20-17(9-13(18)4)14(5)16-8-7-15(12(2)3)10-19(16)22-20;1-5-19-16-10-18-15(9-12(16)3)13(4)14-7-6-11(2)8-17(14)20-18;1-10(2)12-4-6-14-11(3)15-7-5-13(18)9-17(15)19-16(14)8-12;;;;;;;/h12-17H,10-11H2,1-9H3;2-9,11-15,30H,10,16H2,1H3;11-13,25H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;8-11H,2-7,22H2,1H3;7-11,21H,6H2,1-5H3;6-10,19H,2,5H2,1,3-4H3;4-9H,18H2,1-3H3;7*1H4
InChIKeyYZUHPNRNKGUYIL-UHFFFAOYSA-N
XLogP38.88
TPSA180.48 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002741.88
LogP ≤ 538.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine?
The IUPAC name of 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine (CID 162060641) is 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine.
What is the SMILES notation for 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine?
The canonical SMILES for 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine is C.C.C.C.C.C.C.C=c1ccc2c(c1)Oc1cc(NCC)c(C)cc1C=2C.CC(C)=c1ccc2c(c1)Oc1cc(N)ccc1C=2C.CC1=c2cc3c(cc2Oc2cc4c(cc21)-c1ccccc1CN4)=CCc1ccccc1-3.CC1=c2cc3c4c(c2Oc2cc(N(C)C)ccc21)CCCC=4CCC3.CC1=c2cc3c4c(c2Oc2cc(N)ccc21)CCCC=4CCC3.CCC1=c2cc3c(cc2C(C)=CC1(C)C)=C(C)c1cc2c(cc1O3)N(CC)C(C)(C)C=C2C.CCNc1cc2c(cc1C)C(C)=c1cc3c4c(c1O2)CCCC=4CCC3.CCNc1cc2c(cc1C)C(C)=c1ccc(=C(C)C)cc1O2.
What is the InChIKey of 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine?
The InChIKey is YZUHPNRNKGUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO.C29H21NO.C24H27NO.C23H25NO.C21H21NO.C20H23NO.C18H19NO.C17H17NO.7CH4/c1-10-26-25-14-28-23(12-21(25)18(3)16-30(26,6)7)20(5)24-13-22-19(4)17-31(8,9)32(11-2)27(22)15-29(24)33-28;1-17-23-13-25-19(11-10-18-6-2-4-8-21(18)25)12-28(23)31-29-15-27-26(14-24(17)29)22-9-5-3-7-20(22)16-30-27;1-4-25-21-13-22-19(11-14(21)2)15(3)20-12-17-9-5-7-16-8-6-10-18(23(16)17)24(20)26-22;1-14-18-11-10-17(24(2)3)13-21(18)25-23-19-9-5-7-15-6-4-8-16(22(15)19)12-20(14)23;1-12-16-9-8-15(22)11-19(16)23-21-17-7-3-5-13-4-2-6-14(20(13)17)10-18(12)21;1-6-21-18-11-20-17(9-13(18)4)14(5)16-8-7-15(12(2)3)10-19(16)22-20;1-5-19-16-10-18-15(9-12(16)3)13(4)14-7-6-11(2)8-17(14)20-18;1-10(2)12-4-6-14-11(3)15-7-5-13(18)9-17(15)19-16(14)8-12;;;;;;;/h12-17H,10-11H2,1-9H3;2-9,11-15,30H,10,16H2,1H3;11-13,25H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;8-11H,2-7,22H2,1H3;7-11,21H,6H2,1-5H3;6-10,19H,2,5H2,1,3-4H3;4-9H,18H2,1-3H3;7*1H4.
What are the key properties of 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine?
6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine has a molecular weight of 2741.88 g/mol, XLogP of 38.88, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-diethyl-7,7,9,13,17,19,19-heptamethyl-2-oxa-6-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaene;N-ethyl-2,9-dimethyl-6-methylidenexanthen-3-amine;N-ethyl-7,10-dimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;N-ethyl-2,9-dimethyl-6-propan-2-ylidenexanthen-3-amine;methane;2-methyl-17-oxa-13-azaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1,3(16),4,6,8,10,14,18,20,23,25,27,29-tridecaene;10-methyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine;9-methyl-6-propan-2-ylidenexanthen-3-amine;N,N,10-trimethyl-3-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4(9),5,7,10,12,17(21)-heptaen-6-amine is sourced from PubChem (CID 162060641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).