hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene

C24H14 — CID 21087894

IUPAChexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene
SMILESC1=c2ccccc2=c2c1cc1cc3ccccc3c3cccc2c13
InChIInChI=1S/C24H14/c1-3-8-19-15(6-1)12-18-14-17-13-16-7-2-4-9-20(16)23(17)22-11-5-10-21(19)24(18)22/h1-14H
InChIKeyJYZGYESZNFCYFQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.29
Rot. Bonds

About hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene

hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene (PubChem CID 21087894) has the molecular formula C24H14 and a molecular weight of 302.38 g/mol. Its IUPAC name is hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Namehexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene
PubChem CID21087894
Molecular FormulaC24H14
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Namehexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene
SMILESC1=c2ccccc2=c2c1cc1cc3ccccc3c3cccc2c13
InChIInChI=1S/C24H14/c1-3-8-19-15(6-1)12-18-14-17-13-16-7-2-4-9-20(16)23(17)22-11-5-10-21(19)24(18)22/h1-14H
InChIKeyJYZGYESZNFCYFQ-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetracyclo[10.3.1.02,10.03,8]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene
CID 173242499
octacyclo[19.7.1.12,6.03,20.04,17.05,14.08,13.025,29]triaconta-1(28),2(30),3(20),4(17),5(14),6,8,10,12,15,18,21,23,25(29),26-pentadecaene
CID 21082965
heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene;tetracene
CID 173170734
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 22222732
nonacyclo[20.10.1.113,17.02,10.04,9.012,33.023,31.025,30.021,34]tetratriaconta-1(32),2,4,6,8,10,12(33),13,15,17(34),18,20,22,24,26,28,30-heptadecaene
CID 91927721
pentaphene;perylene
CID 159419403
undecacyclo[19.17.1.12,16.13,7.126,34.08,13.025,39.028,33.015,42.020,41.038,40]dotetraconta-1(39),2(41),3,5,7(42),8,10,12,14,16,18,20,22,24,26,28,30,32,34(40),35,37-henicosaene
CID 101161805
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
phenanthrene-1,10-dicarbonitrile
CID 170458510
hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1(21),2,5(22),6,8(23),9,11,13,15,17,19-undecaene
CID 173064560
9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805302
ethane;hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 90911318

Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene?
The IUPAC name of hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene (CID 21087894) is hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene is C1=c2ccccc2=c2c1cc1cc3ccccc3c3cccc2c13.
What is the InChIKey of hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene?
The InChIKey is JYZGYESZNFCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14/c1-3-8-19-15(6-1)12-18-14-17-13-16-7-2-4-9-20(16)23(17)22-11-5-10-21(19)24(18)22/h1-14H.
What are the key properties of hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene?
hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene has a molecular weight of 302.38 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 21087894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).