26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol

C37H32O3 — CID 163664224

IUPAC26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol
SMILESC#CCC1(O)c2c3c(c4c(c2C2C=CC=CC21C)C(O)(CC=C)c1ccccc1-4)C(O)(CC=C)c1ccccc1-3
InChIInChI=1S/C37H32O3/c1-5-19-35(38)26-17-11-9-15-24(26)29-31(35)28-23-14-8-10-16-25(23)36(39,20-6-2)32(28)30-27-18-12-13-22-34(27,4)37(40,21-7-3)33(29)30/h3,5-6,8-18,22,27,38-40H,1-2,19-21H2,4H3
InChIKeyIWZNKAKVLICEDT-UHFFFAOYSA-N
MW524.66 g/mol
LogP6.71
Rot. Bonds5

About 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol

26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol (PubChem CID 163664224) has the molecular formula C37H32O3 and a molecular weight of 524.66 g/mol. Its IUPAC name is 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol.

Molecular Properties

Compound Name26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol
PubChem CID163664224
Molecular FormulaC37H32O3
Molecular Weight524.66 g/mol
Exact Mass524.24
IUPAC Name26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol
SMILESC#CCC1(O)c2c3c(c4c(c2C2C=CC=CC21C)C(O)(CC=C)c1ccccc1-4)C(O)(CC=C)c1ccccc1-3
InChIInChI=1S/C37H32O3/c1-5-19-35(38)26-17-11-9-15-24(26)29-31(35)28-23-14-8-10-16-25(23)36(39,20-6-2)32(28)30-27-18-12-13-22-34(27,4)37(40,21-7-3)33(29)30/h3,5-6,8-18,22,27,38-40H,1-2,19-21H2,4H3
InChIKeyIWZNKAKVLICEDT-UHFFFAOYSA-N
XLogP6.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol 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

9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
9-but-2-ynylfluoren-9-ol
CID 155470796
4,10-dihydroxy-3-methoxy-10-prop-2-enylanthracen-9-one
CID 12065684
1-methyl-4-methylidene-1-prop-2-ynylnaphthalene
CID 46210623
2-[bis(methylsulfanyl)methylidene]-1-prop-2-enylacenaphthylen-1-ol
CID 11771423
9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride
CID 53347287
3-hydroxy-3-prop-2-enyl-1-prop-2-ynylindol-2-one
CID 162398841
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
9-(iodomethyl)fluoren-9-ol
CID 135158118
9-(methylaminomethyl)fluoren-9-ol
CID 132915706

Frequently Asked Questions

What is the IUPAC name of 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol?
The IUPAC name of 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol (CID 163664224) is 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol.
What is the SMILES notation for 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol?
The canonical SMILES for 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol is C#CCC1(O)c2c3c(c4c(c2C2C=CC=CC21C)C(O)(CC=C)c1ccccc1-4)C(O)(CC=C)c1ccccc1-3.
What is the InChIKey of 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol?
The InChIKey is IWZNKAKVLICEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O3/c1-5-19-35(38)26-17-11-9-15-24(26)29-31(35)28-23-14-8-10-16-25(23)36(39,20-6-2)32(28)30-27-18-12-13-22-34(27,4)37(40,21-7-3)33(29)30/h3,5-6,8-18,22,27,38-40H,1-2,19-21H2,4H3.
What are the key properties of 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol?
26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol has a molecular weight of 524.66 g/mol, XLogP of 6.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methyl-9,18-bis(prop-2-enyl)-27-prop-2-ynylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene-9,18,27-triol is sourced from PubChem (CID 163664224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).