24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene

C33H21NS — CID 144681307

IUPAC24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
SMILESC=Cc1sc2cc3c4cc5[nH]c6ccccc6c5c5cccc(c6cccc(c2c1/C=C\C)c63)c45
InChIInChI=1S/C33H21NS/c1-3-9-21-28(4-2)35-29-17-25-24-16-27-32(20-10-5-6-15-26(20)34-27)22-13-7-11-18(30(22)24)19-12-8-14-23(31(19)25)33(21)29/h3-17,34H,2H2,1H3/b9-3-
InChIKeyQEBGFCFSNPZTLD-OQFOIZHKSA-N
MW463.61 g/mol
LogP10.26
Rot. Bonds2

About 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene

24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene (PubChem CID 144681307) has the molecular formula C33H21NS and a molecular weight of 463.61 g/mol. Its IUPAC name is 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene.

Molecular Properties

Compound Name24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
PubChem CID144681307
Molecular FormulaC33H21NS
Molecular Weight463.61 g/mol
Exact Mass463.14
IUPAC Name24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
SMILESC=Cc1sc2cc3c4cc5[nH]c6ccccc6c5c5cccc(c6cccc(c2c1/C=C\C)c63)c45
InChIInChI=1S/C33H21NS/c1-3-9-21-28(4-2)35-29-17-25-24-16-27-32(20-10-5-6-15-26(20)34-27)22-13-7-11-18(30(22)24)19-12-8-14-23(31(19)25)33(21)29/h3-17,34H,2H2,1H3/b9-3-
InChIKeyQEBGFCFSNPZTLD-OQFOIZHKSA-N
XLogP10.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene 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

5-[(2E,4E)-5-phenylhepta-2,4,6-trien-3-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 144681350
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene
CID 145407652
ethane;[2-ethenyl-1-[(Z)-prop-1-enyl]dibenzothiophen-3-yl]boronic acid
CID 145148588
3,19-diphenyl-33-azadecacyclo[19.14.1.15,9.02,20.04,18.010,15.025,36.026,34.027,32.016,37]heptatriaconta-1(35),2,4(18),5,7,9(37),10,12,14,16,19,21,23,25(36),26(34),27,29,31-octadecaene
CID 137383590
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
3-N-[7-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-naphthalen-1-ylamino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-3-N,7-N-diphenyldibenzothiophene-3,7-diamine
CID 167295274
(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
CID 145243588
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
4-dibenzothiophen-2-yl-N,N-dimethylaniline;ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145067584
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607

Frequently Asked Questions

What is the IUPAC name of 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene?
The IUPAC name of 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene (CID 144681307) is 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene.
What is the SMILES notation for 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene?
The canonical SMILES for 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene is C=Cc1sc2cc3c4cc5[nH]c6ccccc6c5c5cccc(c6cccc(c2c1/C=C\C)c63)c45.
What is the InChIKey of 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene?
The InChIKey is QEBGFCFSNPZTLD-OQFOIZHKSA-N. The full InChI is InChI=1S/C33H21NS/c1-3-9-21-28(4-2)35-29-17-25-24-16-27-32(20-10-5-6-15-26(20)34-27)22-13-7-11-18(30(22)24)19-12-8-14-23(31(19)25)33(21)29/h3-17,34H,2H2,1H3/b9-3-.
What are the key properties of 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene?
24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene has a molecular weight of 463.61 g/mol, XLogP of 10.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene is sourced from PubChem (CID 144681307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).