(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione

C35H24N4O2 — CID 155364841

IUPAC(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione
SMILESC=c1nc2c3ccc4c(=O)n5c(C)c6/c(=C\C)cccc6nc5c5ccc(c(=O)n2c2cccc(/C=C\C)c12)c3c45
InChIInChI=1S/C35H24N4O2/c1-5-9-21-11-8-13-27-28(21)18(3)36-32-22-14-16-24-31-23(15-17-25(30(22)31)35(41)39(27)32)33-37-26-12-7-10-20(6-2)29(26)19(4)38(33)34(24)40/h5-17H,3H2,1-2,4H3/b9-5-,20-6-
InChIKeyGRQUMFALEOEGRE-GWLDZMFFSA-N
MW532.60 g/mol
LogP5.46
Rot. Bonds1

About (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione

(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione (PubChem CID 155364841) has the molecular formula C35H24N4O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione.

Molecular Properties

Compound Name(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione
PubChem CID155364841
Molecular FormulaC35H24N4O2
Molecular Weight532.60 g/mol
Exact Mass532.19
IUPAC Name(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione
SMILESC=c1nc2c3ccc4c(=O)n5c(C)c6/c(=C\C)cccc6nc5c5ccc(c(=O)n2c2cccc(/C=C\C)c12)c3c45
InChIInChI=1S/C35H24N4O2/c1-5-9-21-11-8-13-27-28(21)18(3)36-32-22-14-16-24-31-23(15-17-25(30(22)31)35(41)39(27)32)33-37-26-12-7-10-20(6-2)29(26)19(4)38(33)34(24)40/h5-17H,3H2,1-2,4H3/b9-5-,20-6-
InChIKeyGRQUMFALEOEGRE-GWLDZMFFSA-N
XLogP5.46
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione 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 (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione?
The IUPAC name of (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione (CID 155364841) is (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione.
What is the SMILES notation for (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione?
The canonical SMILES for (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione is C=c1nc2c3ccc4c(=O)n5c(C)c6/c(=C\C)cccc6nc5c5ccc(c(=O)n2c2cccc(/C=C\C)c12)c3c45.
What is the InChIKey of (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione?
The InChIKey is GRQUMFALEOEGRE-GWLDZMFFSA-N. The full InChI is InChI=1S/C35H24N4O2/c1-5-9-21-11-8-13-27-28(21)18(3)36-32-22-14-16-24-31-23(15-17-25(30(22)31)35(41)39(27)32)33-37-26-12-7-10-20(6-2)29(26)19(4)38(33)34(24)40/h5-17H,3H2,1-2,4H3/b9-5-,20-6-.
What are the key properties of (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione?
(8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione has a molecular weight of 532.60 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-ethylidene-10-methyl-19-methylidene-21-[(Z)-prop-1-enyl]-3,11,18,26-tetrazaoctacyclo[14.14.2.02,11.04,9.013,31.017,26.020,25.028,32]dotriaconta-1(30),2,4,6,9,13(31),14,16(32),17,20,22,24,28-tridecaene-12,27-dione is sourced from PubChem (CID 155364841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).