4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene

C37H37N5 — CID 135406642

IUPAC4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene
SMILESCCC1=C(C)/C2=C\C3=N/C(=C/C4=N/C(=C/c5[nH]/c(c6c7c(ccc56)=CNC=C7)=C\C1=N2)C(CC)=C4C)C(CC)=C3CC
InChIInChI=1S/C37H37N5/c1-7-23-20(5)29-15-33-25(9-3)26(10-4)34(41-33)16-30-21(6)24(8-2)32(40-30)18-36-37-27-13-14-38-19-22(27)11-12-28(37)35(42-36)17-31(23)39-29/h11-19,38,42H,7-10H2,1-6H3/b30-16-,31-17+,33-15+,36-18-
InChIKeyXUJMOEYNPCWTMG-BMFCULRHSA-N
MW551.74 g/mol
LogP7.32
Rot. Bonds4

About 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene

4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene (PubChem CID 135406642) has the molecular formula C37H37N5 and a molecular weight of 551.74 g/mol. Its IUPAC name is 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene.

Molecular Properties

Compound Name4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene
PubChem CID135406642
Molecular FormulaC37H37N5
Molecular Weight551.74 g/mol
Exact Mass551.30
IUPAC Name4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene
SMILESCCC1=C(C)/C2=C\C3=N/C(=C/C4=N/C(=C/c5[nH]/c(c6c7c(ccc56)=CNC=C7)=C\C1=N2)C(CC)=C4C)C(CC)=C3CC
InChIInChI=1S/C37H37N5/c1-7-23-20(5)29-15-33-25(9-3)26(10-4)34(41-33)16-30-21(6)24(8-2)32(40-30)18-36-37-27-13-14-38-19-22(27)11-12-28(37)35(42-36)17-31(23)39-29/h11-19,38,42H,7-10H2,1-6H3/b30-16-,31-17+,33-15+,36-18-
InChIKeyXUJMOEYNPCWTMG-BMFCULRHSA-N
XLogP7.32
TPSA64.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.74
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene 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

9,10,19,20-Tetra-n-propylporphycene
CID 129711166
4,5,9,24-Tetraethyl-10,16,17,23-tetramethyl-13,20,25,26,27-pentazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6(27),7,9,11,13,15,17,19,21,23-tridecaene
CID 15837362
5,10,15-tris(1-methyl-2H-pyridin-2-yl)-21H-corrin
CID 67104658
2-(4H-pyrazino[2,3-c]carbazol-6-yl)ethanamine
CID 136472627
(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),16-octaene
CID 136612604
(E)-2-(17-ethenyl-3,7,13,18-tetramethyl-8,12-dipropyl-3,21-dihydroporphyrin-2-yl)ethenamine
CID 141900777
(1Z,3E)-3-[(2Z,6Z,11Z,13Z,16Z)-16-[(3E)-5-aminopenta-1,3-dien-3-yl]-7,12-bis(1,2-dihydropyridin-4-yl)-13-prop-2-enylidene-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1(20),2,6,8(21),9,11,16,18-octaen-2-yl]penta-1,3-dien-1-amine;ethane
CID 143089305
(1Z,3E)-3-[(2Z,6Z,11Z,16Z)-2-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-7,16-bis(1,2-dihydropyridin-4-yl)-13-methylidene-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1(20),2,4,6,8(21),9,11,16,18-nonaen-12-yl]penta-1,3-dien-1-amine;prop-1-ene
CID 143089308
(6E,12Z)-10,26-dimethyl-31,32,33,34,35-pentazahexacyclo[26.2.1.13,6.18,11.113,16.118,21]pentatriaconta-1(31),2,4,6,8,12,14,16,18(32),21,24,26,29-tridecaen-23-imine
CID 173968685
2-(1,2-Dihydropyridin-4-yl)porphyrin
CID 174720907
9-[5-(1,2-dimethyl-2H-pyrido[3,4-b]indole-2,9-diium-9-yl)pentyl]-1,2-dimethyl-2H-pyrido[3,4-b]indole-2,9-diium dibromide
CID 21119205
3,4,8,9,12,13,26,27-Octaethyl-20-(3,4,8,9,12,13,26,27-octaethyl-16,23,28,29,30,31-hexazahexacyclo[23.2.1.12,5.17,10.111,14.017,22]hentriaconta-1,3,5(31),6,8,10,12,14,16,18,20,22,24,26-tetradecaen-19-yl)-16,23,28,29,30,31-hexazahexacyclo[23.2.1.12,5.17,10.111,14.017,22]hentriaconta-1,3,5,7(30),8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 25075852

Frequently Asked Questions

What is the IUPAC name of 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene?
The IUPAC name of 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene (CID 135406642) is 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene.
What is the SMILES notation for 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene?
The canonical SMILES for 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene is CCC1=C(C)/C2=C\C3=N/C(=C/C4=N/C(=C/c5[nH]/c(c6c7c(ccc56)=CNC=C7)=C\C1=N2)C(CC)=C4C)C(CC)=C3CC.
What is the InChIKey of 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene?
The InChIKey is XUJMOEYNPCWTMG-BMFCULRHSA-N. The full InChI is InChI=1S/C37H37N5/c1-7-23-20(5)29-15-33-25(9-3)26(10-4)34(41-33)16-30-21(6)24(8-2)32(40-30)18-36-37-27-13-14-38-19-22(27)11-12-28(37)35(42-36)17-31(23)39-29/h11-19,38,42H,7-10H2,1-6H3/b30-16-,31-17+,33-15+,36-18-.
What are the key properties of 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene?
4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene has a molecular weight of 551.74 g/mol, XLogP of 7.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10,15-tetraethyl-5,14-dimethyl-23,29,30,31,32-pentazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16(30),17,19,21,24,26-pentadecaene is sourced from PubChem (CID 135406642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).