(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene

C36H24N4 — CID 87483055

IUPAC(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene
SMILESC1=CC2=C3/C=C4\N=C(/C=c5\[nH]/c(c6ccccc56)=C\C5=N/C(=C\C(N3)C2C=C1)c1ccccc15)c1ccccc14
InChIInChI=1S/C36H24N4/c1-2-10-22-21(9-1)29-17-31-23-11-3-4-12-24(23)33(38-31)19-35-27-15-7-8-16-28(27)36(40-35)20-34-26-14-6-5-13-25(26)32(39-34)18-30(22)37-29/h1-21,29,37,40H/b31-17-,32-18-,35-19-,36-20-
InChIKeyPGJOTCHPYYWSTM-YKPCOEAJSA-N
MW512.62 g/mol
LogP5.40
Rot. Bonds

About (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene

(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene (PubChem CID 87483055) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene.

Molecular Properties

Compound Name(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene
PubChem CID87483055
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene
SMILESC1=CC2=C3/C=C4\N=C(/C=c5\[nH]/c(c6ccccc56)=C\C5=N/C(=C\C(N3)C2C=C1)c1ccccc15)c1ccccc14
InChIInChI=1S/C36H24N4/c1-2-10-22-21(9-1)29-17-31-23-11-3-4-12-24(23)33(38-31)19-35-27-15-7-8-16-28(27)36(40-35)20-34-26-14-6-5-13-25(26)32(39-34)18-30(22)37-29/h1-21,29,37,40H/b31-17-,32-18-,35-19-,36-20-
InChIKeyPGJOTCHPYYWSTM-YKPCOEAJSA-N
XLogP5.40
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene 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

(5Z,9Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,4,21,22-tetrahydroporphyrin
CID 136135835
(4Z,10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 118729008
(5Z,10Z,14Z,19Z)-5,10,15,20-tetraphenyl-1,2,21,23-tetrahydroporphyrin
CID 59167867
Tetra-phenyltetrahydroporphin
CID 77520081
Tetrahydrobenzoporphyrin
CID 88457769
Dihydrobenzoporphyrin
CID 88457771
Tetrahydronaphthoporphyrin
CID 132280012
5-[7-[1-[7-[3-[(2E)-2-(2-amino-1-phenylpropylidene)-6-methyl-1H-pyrimidin-4-yl]phenyl]heptyl]piperidin-4-yl]-5-fluoro-3-methylidene-1H-isoindol-2-yl]-N-methylhepta-1,6-dien-2-amine
CID 163269397
(10Z,15Z,19Z)-5,10,15,20-tetraphenyl-1,9,21,24-tetrahydroporphyrin
CID 172027674
(2Z)-3-methyl-2-[(3-methyl-2,3,4,5-tetrahydro-1H-benzo[g]indol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methylidene]-4,5-dihydrobenzo[g]indole
CID 177490548
29,30,31,32-Tetrazaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(29),2,4,6,8,10(32),11,13,15,17(30),18,20,24,27-tetradecaene
CID 53661844
38,40-Dimethyl-2,11,20,37,38,39,40-heptazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,23,25,27,29,31,33,35-octadecaene
CID 53967714

Frequently Asked Questions

What is the IUPAC name of (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene?
The IUPAC name of (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene (CID 87483055) is (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene.
What is the SMILES notation for (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene?
The canonical SMILES for (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene is C1=CC2=C3/C=C4\N=C(/C=c5\[nH]/c(c6ccccc56)=C\C5=N/C(=C\C(N3)C2C=C1)c1ccccc15)c1ccccc14.
What is the InChIKey of (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene?
The InChIKey is PGJOTCHPYYWSTM-YKPCOEAJSA-N. The full InChI is InChI=1S/C36H24N4/c1-2-10-22-21(9-1)29-17-31-23-11-3-4-12-24(23)33(38-31)19-35-27-15-7-8-16-28(27)36(40-35)20-34-26-14-6-5-13-25(26)32(39-34)18-30(22)37-29/h1-21,29,37,40H/b31-17-,32-18-,35-19-,36-20-.
What are the key properties of (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene?
(2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene has a molecular weight of 512.62 g/mol, XLogP of 5.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,11Z,19Z,28Z)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,32,34-octadecaene is sourced from PubChem (CID 87483055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).