24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene

C36H26N4 — CID 144995574

IUPAC24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene
SMILESC1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3cc3c2n4C2Nc4ccccc4NC32)CC1
InChIInChI=1S/C36H26N4/c1-2-11-22(12-3-1)39-30-17-9-6-14-24(30)25-19-32-26(20-31(25)39)33-23-13-5-4-10-21(23)18-27-34-36(40(32)35(27)33)38-29-16-8-7-15-28(29)37-34/h1-5,7-13,15-20,34,36-38H,6,14H2
InChIKeyVVXOKXJRIDIHPV-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.94
Rot. Bonds1

About 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene

24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene (PubChem CID 144995574) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene.

Molecular Properties

Compound Name24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene
PubChem CID144995574
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene
SMILESC1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3cc3c2n4C2Nc4ccccc4NC32)CC1
InChIInChI=1S/C36H26N4/c1-2-11-22(12-3-1)39-30-17-9-6-14-24(30)25-19-32-26(20-31(25)39)33-23-13-5-4-10-21(23)18-27-34-36(40(32)35(27)33)38-29-16-8-7-15-28(29)37-34/h1-5,7-13,15-20,34,36-38H,6,14H2
InChIKeyVVXOKXJRIDIHPV-UHFFFAOYSA-N
XLogP8.94
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene?
The IUPAC name of 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene (CID 144995574) is 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene.
What is the SMILES notation for 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene?
The canonical SMILES for 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene is C1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3cc3c2n4C2Nc4ccccc4NC32)CC1.
What is the InChIKey of 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene?
The InChIKey is VVXOKXJRIDIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-2-11-22(12-3-1)39-30-17-9-6-14-24(30)25-19-32-26(20-31(25)39)33-23-13-5-4-10-21(23)18-27-34-36(40(32)35(27)33)38-29-16-8-7-15-28(29)37-34/h1-5,7-13,15-20,34,36-38H,6,14H2.
What are the key properties of 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene?
24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene has a molecular weight of 514.63 g/mol, XLogP of 8.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenyl-1,3,10,24-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.023,31.025,30]tetratriaconta-4,6,8,12,14,16,18,20(34),21(33),22,25(30),26,31-tridecaene is sourced from PubChem (CID 144995574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).