decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene

C38H24 — CID 160943205

IUPACdecacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C38H24/c1-3-7-23-21(5-1)9-10-26-27-13-14-30-31-16-15-29-28-12-11-25-24-8-4-2-6-22(24)17-32(25)34(28)19-36(29)38(31)20-37(30)35(27)18-33(23)26/h1-16H,17-20H2
InChIKeyODXTUXGQBVCYAB-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.12
Rot. Bonds

About decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene

decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene (PubChem CID 160943205) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene.

Molecular Properties

Compound Namedecacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
PubChem CID160943205
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Namedecacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C38H24/c1-3-7-23-21(5-1)9-10-26-27-13-14-30-31-16-15-29-28-12-11-25-24-8-4-2-6-22(24)17-32(25)34(28)19-36(29)38(31)20-37(30)35(27)18-33(23)26/h1-16H,17-20H2
InChIKeyODXTUXGQBVCYAB-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene?
The IUPAC name of decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene (CID 160943205) is decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene.
What is the SMILES notation for decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene?
The canonical SMILES for decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2c1Cc1c-2ccc2ccccc12.
What is the InChIKey of decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene?
The InChIKey is ODXTUXGQBVCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-3-7-23-21(5-1)9-10-26-27-13-14-30-31-16-15-29-28-12-11-25-24-8-4-2-6-22(24)17-32(25)34(28)19-36(29)38(31)20-37(30)35(27)18-33(23)26/h1-16H,17-20H2.
What are the key properties of decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene?
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene has a molecular weight of 480.61 g/mol, XLogP of 9.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene is sourced from PubChem (CID 160943205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).