27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane

C241H238N6 — CID 161380999

IUPAC27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c4ccccc4n4c5ccccc5cc4c3cc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c5ccccc5cc4c2cc1-3
InChIInChI=1S/6C34H21N.18C2H6.CH4/c1-3-9-25-20(7-1)13-22-16-28-23(15-27(22)25)14-24-17-31-30(19-29(24)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-31-30(19-29(24)28(23)18-27(22)25)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-30-26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(35)31(30)19-29(24)28(23)18-27(22)25;1-3-9-23-20(7-1)15-28-24(23)13-14-25-27-19-31-30(17-22(27)16-29(25)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-24-20(7-1)15-22-13-14-25-27-19-29-28(16-23(27)17-30(25)34(22)24)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35;1-3-9-25-20(7-1)15-22-13-14-23-16-24-17-29-28(19-27(24)34(23)33(22)25)26-10-4-6-12-31(26)35-30-11-5-2-8-21(30)18-32(29)35;18*1-2;/h1-12,15-19H,13-14H2;2*1-12,14,16-19H,13,15H2;1-14,17-19H,15-16H2;1-14,16,18-19H,15,17H2;1-14,17-19H,15-16H2;18*1-2H3;1H4
InChIKeyVRSJVXSBXQHEIK-UHFFFAOYSA-N
MW3218.60 g/mol
LogP70.36
Rot. Bonds

About 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane

27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane (PubChem CID 161380999) has the molecular formula C241H238N6 and a molecular weight of 3218.60 g/mol. Its IUPAC name is 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane.

Molecular Properties

Compound Name27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
PubChem CID161380999
Molecular FormulaC241H238N6
Molecular Weight3218.60 g/mol
Exact Mass3215.88
IUPAC Name27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c4ccccc4n4c5ccccc5cc4c3cc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c5ccccc5cc4c2cc1-3
InChIInChI=1S/6C34H21N.18C2H6.CH4/c1-3-9-25-20(7-1)13-22-16-28-23(15-27(22)25)14-24-17-31-30(19-29(24)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-31-30(19-29(24)28(23)18-27(22)25)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-30-26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(35)31(30)19-29(24)28(23)18-27(22)25;1-3-9-23-20(7-1)15-28-24(23)13-14-25-27-19-31-30(17-22(27)16-29(25)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-24-20(7-1)15-22-13-14-25-27-19-29-28(16-23(27)17-30(25)34(22)24)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35;1-3-9-25-20(7-1)15-22-13-14-23-16-24-17-29-28(19-27(24)34(23)33(22)25)26-10-4-6-12-31(26)35-30-11-5-2-8-21(30)18-32(29)35;18*1-2;/h1-12,15-19H,13-14H2;2*1-12,14,16-19H,13,15H2;1-14,17-19H,15-16H2;1-14,16,18-19H,15,17H2;1-14,17-19H,15-16H2;18*1-2H3;1H4
InChIKeyVRSJVXSBXQHEIK-UHFFFAOYSA-N
XLogP70.36
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms247
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003218.60
LogP ≤ 570.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane 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

Frequently Asked Questions

What is the IUPAC name of 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane?
The IUPAC name of 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane (CID 161380999) is 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane.
What is the SMILES notation for 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane?
The canonical SMILES for 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1Cc1cc3c4ccccc4n4c5ccccc5cc4c3cc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c(cc1C3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)c1ccccc1n1c3ccccc3cc21.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1cc2c4ccccc4n4c5ccccc5cc4c2cc1C3.c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1cc2c4ccccc4n4c5ccccc5cc4c2cc1-3.
What is the InChIKey of 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane?
The InChIKey is VRSJVXSBXQHEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C34H21N.18C2H6.CH4/c1-3-9-25-20(7-1)13-22-16-28-23(15-27(22)25)14-24-17-31-30(19-29(24)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-31-30(19-29(24)28(23)18-27(22)25)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(31)35;1-3-9-25-20(7-1)13-22-14-23-15-24-16-30-26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)17-34(35)31(30)19-29(24)28(23)18-27(22)25;1-3-9-23-20(7-1)15-28-24(23)13-14-25-27-19-31-30(17-22(27)16-29(25)28)26-10-4-6-12-33(26)35-32-11-5-2-8-21(32)18-34(31)35;1-3-9-24-20(7-1)15-22-13-14-25-27-19-29-28(16-23(27)17-30(25)34(22)24)26-10-4-6-12-32(26)35-31-11-5-2-8-21(31)18-33(29)35;1-3-9-25-20(7-1)15-22-13-14-23-16-24-17-29-28(19-27(24)34(23)33(22)25)26-10-4-6-12-31(26)35-30-11-5-2-8-21(30)18-32(29)35;18*1-2;/h1-12,15-19H,13-14H2;2*1-12,14,16-19H,13,15H2;1-14,17-19H,15-16H2;1-14,16,18-19H,15,17H2;1-14,17-19H,15-16H2;18*1-2H3;1H4.
What are the key properties of 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane?
27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane has a molecular weight of 3218.60 g/mol, XLogP of 70.36, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane is sourced from PubChem (CID 161380999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).