decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene

C63H54 — CID 165401559

About decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene

decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene (PubChem CID 165401559) has the molecular formula C63H54 and a molecular weight of 811.12 g/mol. Its IUPAC name is decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene.

Molecular Properties

• Compound Name: decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene
• PubChem CID: 165401559
• Molecular Formula: C63H54
• Molecular Weight: 811.12 g/mol
• Exact Mass: 810.42
• IUPAC Name: decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene
• SMILES: C=C(/C=C\C)/C=C\C.C=CC(=C)C(=C)C(=C)/C=C1\CC=C(/C=C\C)C1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1cc2c(cc1C4)-c1c(c3ccccc3c3ccccc13)C2
• InChI: InChI=1S/C38H22.C17H20.C8H12/c1-2-10-29-27(8-1)28-9-3-4-11-30(28)38-33-18-24-17-26-16-23-13-12-21-6-5-7-22-14-15-31(37(23)35(21)22)36(26)32(24)19-25(33)20-34(29)38;1-6-8-16-9-10-17(12-16)11-14(4)15(5)13(3)7-2;1-4-6-8(3)7-5-2/h1-16,18-19H,17,20H2;6-9,11H,2-5,10,12H2,1H3;4-7H,3H2,1-2H3/b;8-6-,17-11+;6-4-,7-5-
• InChIKey: OTYMAPMGXRPKDS-JMTRPIMJSA-N
• XLogP: 17.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.12
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene?

The IUPAC name of decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene (CID 165401559) is decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene.

What is the SMILES notation for decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene?

The canonical SMILES for decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene is C=C(/C=C\C)/C=C\C.C=CC(=C)C(=C)C(=C)/C=C1\CC=C(/C=C\C)C1.c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1cc2c(cc1C4)-c1c(c3ccccc3c3ccccc13)C2.

What is the InChIKey of decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene?

The InChIKey is OTYMAPMGXRPKDS-JMTRPIMJSA-N. The full InChI is InChI=1S/C38H22.C17H20.C8H12/c1-2-10-29-27(8-1)28-9-3-4-11-30(28)38-33-18-24-17-26-16-23-13-12-21-6-5-7-22-14-15-31(37(23)35(21)22)36(26)32(24)19-25(33)20-34(29)38;1-6-8-16-9-10-17(12-16)11-14(4)15(5)13(3)7-2;1-4-6-8(3)7-5-2/h1-16,18-19H,17,20H2;6-9,11H,2-5,10,12H2,1H3;4-7H,3H2,1-2H3/b;8-6-,17-11+;6-4-,7-5-.

What are the key properties of decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene?

decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene has a molecular weight of 811.12 g/mol, XLogP of 17.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for decacyclo[28.6.2.02,25.03,23.05,21.07,20.08,13.014,19.027,37.034,38]octatriaconta-1(37),2(25),3,5(21),7(20),8,10,12,14,16,18,22,26,28,30(38),31,33,35-octadecaene;(2Z,5Z)-4-methylidenehepta-2,5-diene;(4E)-1-[(Z)-prop-1-enyl]-4-(2,3,4-trimethylidenehex-5-enylidene)cyclopentene is sourced from PubChem (CID 165401559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).