3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene

C186H112N8 — CID 158816735

IUPAC3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
SMILESCC(C)(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.CC(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.Cc1cc(C)cc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.Cc1ccc(C#N)cc1-c1cc2c3cccc4c5cc6ccccc6c6c(c1)c2n(c34)c56.N#Cc1cccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.c1ccc(-c2ccccc2-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1
InChIInChI=1S/C34H19N.C32H23N.C31H21N.C30H16N2.C30H19N.C29H14N2/c1-2-9-20(10-3-1)23-12-6-7-13-24(23)22-18-28-26-15-8-16-27-29-17-21-11-4-5-14-25(21)31-30(19-22)33(28)35(32(26)27)34(29)31;1-32(2,3)21-13-11-18(12-14-21)20-16-25-23-9-6-10-24-26-15-19-7-4-5-8-22(19)28-27(17-20)30(25)33(29(23)24)31(26)28;1-17(2)18-10-12-19(13-11-18)21-15-25-23-8-5-9-24-26-14-20-6-3-4-7-22(20)28-27(16-21)30(25)32(29(23)24)31(26)28;1-16-9-10-17(15-31)11-23(16)19-13-24-21-7-4-8-22-25-12-18-5-2-3-6-20(18)27-26(14-19)29(24)32(28(21)22)30(25)27;1-16-10-17(2)12-19(11-16)20-14-24-22-8-5-9-23-25-13-18-6-3-4-7-21(18)27-26(15-20)29(24)31(28(22)23)30(25)27;30-15-16-5-3-7-17(11-16)19-13-23-21-9-4-10-22-24-12-18-6-1-2-8-20(18)26-25(14-19)28(23)31(27(21)22)29(24)26/h1-19H;4-17H,1-3H3;3-17H,1-2H3;2-14H,1H3;3-15H,1-2H3;1-14H
InChIKeyIVJBYNYNLIBROF-UHFFFAOYSA-N
MW2459.00 g/mol
LogP50.87
Rot. Bonds8

About 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene

3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene (PubChem CID 158816735) has the molecular formula C186H112N8 and a molecular weight of 2459.00 g/mol. Its IUPAC name is 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene.

Molecular Properties

Compound Name3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
PubChem CID158816735
Molecular FormulaC186H112N8
Molecular Weight2459.00 g/mol
Exact Mass2456.90
IUPAC Name3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
SMILESCC(C)(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.CC(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.Cc1cc(C)cc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.Cc1ccc(C#N)cc1-c1cc2c3cccc4c5cc6ccccc6c6c(c1)c2n(c34)c56.N#Cc1cccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.c1ccc(-c2ccccc2-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1
InChIInChI=1S/C34H19N.C32H23N.C31H21N.C30H16N2.C30H19N.C29H14N2/c1-2-9-20(10-3-1)23-12-6-7-13-24(23)22-18-28-26-15-8-16-27-29-17-21-11-4-5-14-25(21)31-30(19-22)33(28)35(32(26)27)34(29)31;1-32(2,3)21-13-11-18(12-14-21)20-16-25-23-9-6-10-24-26-15-19-7-4-5-8-22(19)28-27(17-20)30(25)33(29(23)24)31(26)28;1-17(2)18-10-12-19(13-11-18)21-15-25-23-8-5-9-24-26-14-20-6-3-4-7-22(20)28-27(16-21)30(25)32(29(23)24)31(26)28;1-16-9-10-17(15-31)11-23(16)19-13-24-21-7-4-8-22-25-12-18-5-2-3-6-20(18)27-26(14-19)29(24)32(28(21)22)30(25)27;1-16-10-17(2)12-19(11-16)20-14-24-22-8-5-9-23-25-13-18-6-3-4-7-21(18)27-26(15-20)29(24)31(28(22)23)30(25)27;30-15-16-5-3-7-17(11-16)19-13-23-21-9-4-10-22-24-12-18-6-1-2-8-20(18)26-25(14-19)28(23)31(27(21)22)29(24)26/h1-19H;4-17H,1-3H3;3-17H,1-2H3;2-14H,1H3;3-15H,1-2H3;1-14H
InChIKeyIVJBYNYNLIBROF-UHFFFAOYSA-N
XLogP50.87
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms194
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002459.00
LogP ≤ 550.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene?
The IUPAC name of 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene (CID 158816735) is 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene.
What is the SMILES notation for 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene?
The canonical SMILES for 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene is CC(C)(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.CC(C)c1ccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.Cc1cc(C)cc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.Cc1ccc(C#N)cc1-c1cc2c3cccc4c5cc6ccccc6c6c(c1)c2n(c34)c56.N#Cc1cccc(-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)c1.c1ccc(-c2ccccc2-c2cc3c4cccc5c6cc7ccccc7c7c(c2)c3n(c45)c67)cc1.
What is the InChIKey of 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene?
The InChIKey is IVJBYNYNLIBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N.C32H23N.C31H21N.C30H16N2.C30H19N.C29H14N2/c1-2-9-20(10-3-1)23-12-6-7-13-24(23)22-18-28-26-15-8-16-27-29-17-21-11-4-5-14-25(21)31-30(19-22)33(28)35(32(26)27)34(29)31;1-32(2,3)21-13-11-18(12-14-21)20-16-25-23-9-6-10-24-26-15-19-7-4-5-8-22(19)28-27(17-20)30(25)33(29(23)24)31(26)28;1-17(2)18-10-12-19(13-11-18)21-15-25-23-8-5-9-24-26-14-20-6-3-4-7-22(20)28-27(16-21)30(25)32(29(23)24)31(26)28;1-16-9-10-17(15-31)11-23(16)19-13-24-21-7-4-8-22-25-12-18-5-2-3-6-20(18)27-26(14-19)29(24)32(28(21)22)30(25)27;1-16-10-17(2)12-19(11-16)20-14-24-22-8-5-9-23-25-13-18-6-3-4-7-21(18)27-26(15-20)29(24)31(28(22)23)30(25)27;30-15-16-5-3-7-17(11-16)19-13-23-21-9-4-10-22-24-12-18-6-1-2-8-20(18)26-25(14-19)28(23)31(27(21)22)29(24)26/h1-19H;4-17H,1-3H3;3-17H,1-2H3;2-14H,1H3;3-15H,1-2H3;1-14H.
What are the key properties of 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene?
3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene has a molecular weight of 2459.00 g/mol, XLogP of 50.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)benzonitrile;3-(1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaen-19-yl)-4-methylbenzonitrile;19-(4-tert-butylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(3,5-dimethylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene;19-(4-propan-2-ylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene is sourced from PubChem (CID 158816735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).