26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene

C40H30 — CID 132942105

IUPAC26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene
SMILESCc1c(C)c2c(c3c1CCc1ccccc1-3)-c1c(ccc3ccc4ccc5ccc6ccccc6c5c4c13)CC2
InChIInChI=1S/C40H30/c1-23-24(2)32-22-20-30-18-17-29-16-15-28-14-13-27-12-11-25-7-3-5-9-33(25)35(27)36(28)37(29)38(30)40(32)39-31(23)21-19-26-8-4-6-10-34(26)39/h3-18H,19-22H2,1-2H3
InChIKeyHAKZBXVEHJMDJE-UHFFFAOYSA-N
MW510.68 g/mol
LogP10.45
Rot. Bonds

About 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene

26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene (PubChem CID 132942105) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene.

Molecular Properties

Compound Name26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene
PubChem CID132942105
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene
SMILESCc1c(C)c2c(c3c1CCc1ccccc1-3)-c1c(ccc3ccc4ccc5ccc6ccccc6c5c4c13)CC2
InChIInChI=1S/C40H30/c1-23-24(2)32-22-20-30-18-17-29-16-15-28-14-13-27-12-11-25-7-3-5-9-33(25)35(27)36(28)37(29)38(30)40(32)39-31(23)21-19-26-8-4-6-10-34(26)39/h3-18H,19-22H2,1-2H3
InChIKeyHAKZBXVEHJMDJE-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene?
The IUPAC name of 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene (CID 132942105) is 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene.
What is the SMILES notation for 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene?
The canonical SMILES for 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene is Cc1c(C)c2c(c3c1CCc1ccccc1-3)-c1c(ccc3ccc4ccc5ccc6ccccc6c5c4c13)CC2.
What is the InChIKey of 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene?
The InChIKey is HAKZBXVEHJMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-23-24(2)32-22-20-30-18-17-29-16-15-28-14-13-27-12-11-25-7-3-5-9-33(25)35(27)36(28)37(29)38(30)40(32)39-31(23)21-19-26-8-4-6-10-34(26)39/h3-18H,19-22H2,1-2H3.
What are the key properties of 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene?
26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene has a molecular weight of 510.68 g/mol, XLogP of 10.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26,27-dimethylnonacyclo[20.16.0.02,19.03,16.04,13.05,10.025,38.028,37.031,36]octatriaconta-1(22),2(19),3(16),4(13),5,7,9,11,14,17,20,25(38),26,28(37),31,33,35-heptadecaene is sourced from PubChem (CID 132942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).