(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene

C36H30N4 — CID 132543118

IUPAC(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene
SMILESCn1c2c(c3ccccc31)CC/C=C/CCc1c(n(C)c3ccccc13)-c1ccc3ccc4ccc-2nc4c3n1
InChIInChI=1S/C36H30N4/c1-39-31-15-9-7-11-25(31)27-13-5-3-4-6-14-28-26-12-8-10-16-32(26)40(2)36(28)30-22-20-24-18-17-23-19-21-29(35(27)39)37-33(23)34(24)38-30/h3-4,7-12,15-22H,5-6,13-14H2,1-2H3/b4-3+
InChIKeyRIGTWPXAKJOKAA-ONEGZZNKSA-N
MW518.66 g/mol
LogP8.54
Rot. Bonds

About (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene

(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene (PubChem CID 132543118) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene.

Molecular Properties

Compound Name(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene
PubChem CID132543118
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene
SMILESCn1c2c(c3ccccc31)CC/C=C/CCc1c(n(C)c3ccccc13)-c1ccc3ccc4ccc-2nc4c3n1
InChIInChI=1S/C36H30N4/c1-39-31-15-9-7-11-25(31)27-13-5-3-4-6-14-28-26-12-8-10-16-32(26)40(2)36(28)30-22-20-24-18-17-23-19-21-29(35(27)39)37-33(23)34(24)38-30/h3-4,7-12,15-22H,5-6,13-14H2,1-2H3/b4-3+
InChIKeyRIGTWPXAKJOKAA-ONEGZZNKSA-N
XLogP8.54
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene 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

(13E)-3,24-dimethyl-3,24,30-triazahexacyclo[24.3.1.02,10.04,9.017,25.018,23]triaconta-1(30),2(10),4,6,8,13,17(25),18,20,22,26,28-dodecaene
CID 177470984
(13E)-3,24-dimethyl-29-thia-3,24-diazahexacyclo[24.2.1.02,10.04,9.017,25.018,23]nonacosa-1(28),2(10),4,6,8,13,17(25),18,20,22,26-undecaene
CID 122205076
11,12-dimethyl-7,8-dihydroindolo[2,3-a]carbazole
CID 163716451
dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
CID 18366732
4-chloro-17-methyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,11,13,15-hexaen-6-one
CID 24952622
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one
CID 71148065
17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
CID 166798198
4-methyl-2,3-dihydrothieno[3,2-b]indole
CID 86126267
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
ethane;bis(9-methylcarbazole)
CID 159710949
9-methyl-1-quinolin-2-ylcarbazole
CID 140671194

Frequently Asked Questions

What is the IUPAC name of (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene?
The IUPAC name of (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene (CID 132543118) is (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene.
What is the SMILES notation for (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene?
The canonical SMILES for (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene is Cn1c2c(c3ccccc31)CC/C=C/CCc1c(n(C)c3ccccc13)-c1ccc3ccc4ccc-2nc4c3n1.
What is the InChIKey of (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene?
The InChIKey is RIGTWPXAKJOKAA-ONEGZZNKSA-N. The full InChI is InChI=1S/C36H30N4/c1-39-31-15-9-7-11-25(31)27-13-5-3-4-6-14-28-26-12-8-10-16-32(26)40(2)36(28)30-22-20-24-18-17-23-19-21-29(35(27)39)37-33(23)34(24)38-30/h3-4,7-12,15-22H,5-6,13-14H2,1-2H3/b4-3+.
What are the key properties of (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene?
(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene has a molecular weight of 518.66 g/mol, XLogP of 8.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene is sourced from PubChem (CID 132543118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).