3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene

C30H14N4 — CID 58122097

IUPAC3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
SMILESc1cc2c3c(cccc3c1)-c1nc3cc4nc5c(nc4cc3nc1-2)-c1cccc2cccc-5c12
InChIInChI=1S/C30H14N4/c1-5-15-6-2-10-18-25(15)17(9-1)27-28(18)32-22-14-24-23(13-21(22)31-27)33-29-19-11-3-7-16-8-4-12-20(26(16)19)30(29)34-24/h1-14H
InChIKeyPFQCFBDYRJMFIY-UHFFFAOYSA-N
MW430.47 g/mol
LogP7.17
Rot. Bonds

About 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene

3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene (PubChem CID 58122097) has the molecular formula C30H14N4 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene.

Molecular Properties

Compound Name3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
PubChem CID58122097
Molecular FormulaC30H14N4
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC Name3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
SMILESc1cc2c3c(cccc3c1)-c1nc3cc4nc5c(nc4cc3nc1-2)-c1cccc2cccc-5c12
InChIInChI=1S/C30H14N4/c1-5-15-6-2-10-18-25(15)17(9-1)27-28(18)32-22-14-24-23(13-21(22)31-27)33-29-19-11-3-7-16-8-4-12-20(26(16)19)30(29)34-24/h1-14H
InChIKeyPFQCFBDYRJMFIY-UHFFFAOYSA-N
XLogP7.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene 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

acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
CID 1320006
3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
CID 155812910
9-chloroacenaphthyleno[2,1-b]quinoline
CID 15183526
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
CID 1154611
fluoranthene
CID 139203734
acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide
CID 158445835
6,7,20,21-tetrabromo-3,10,17,24-tetrazaoctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 59167596
methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
CID 157448357
8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole
CID 10917492
7,12,12-trimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaene
CID 164748474

Frequently Asked Questions

What is the IUPAC name of 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene?
The IUPAC name of 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene (CID 58122097) is 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene.
What is the SMILES notation for 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene?
The canonical SMILES for 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene is c1cc2c3c(cccc3c1)-c1nc3cc4nc5c(nc4cc3nc1-2)-c1cccc2cccc-5c12.
What is the InChIKey of 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene?
The InChIKey is PFQCFBDYRJMFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14N4/c1-5-15-6-2-10-18-25(15)17(9-1)27-28(18)32-22-14-24-23(13-21(22)31-27)33-29-19-11-3-7-16-8-4-12-20(26(16)19)30(29)34-24/h1-14H.
What are the key properties of 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene?
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene has a molecular weight of 430.47 g/mol, XLogP of 7.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene is sourced from PubChem (CID 58122097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).