7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C22H16 — CID 158908888

IUPAC7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
SMILESCc1cccc2c1Cc1ccc3c(ccc4ccccc43)c1-2
InChIInChI=1S/C22H16/c1-14-5-4-8-19-21(14)13-16-10-11-18-17-7-3-2-6-15(17)9-12-20(18)22(16)19/h2-12H,13H2,1H3
InChIKeyKRSACGQVFFTDAA-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.87
Rot. Bonds

About 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 158908888) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

Compound Name7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
PubChem CID158908888
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
SMILESCc1cccc2c1Cc1ccc3c(ccc4ccccc43)c1-2
InChIInChI=1S/C22H16/c1-14-5-4-8-19-21(14)13-16-10-11-18-17-7-3-2-6-15(17)9-12-20(18)22(16)19/h2-12H,13H2,1H3
InChIKeyKRSACGQVFFTDAA-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene 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

7-methylpentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160819244
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
8-methyl-7H-benzo[c]fluorene;9-methyl-7H-benzo[c]fluorene;10-methyl-7H-benzo[c]fluorene;1-methyl-9H-fluorene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;toluene
CID 160899257
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
methane;1-methylphenanthrene
CID 175001905
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 158149604
1-(2-methylphenyl)picene
CID 173138076
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 4558435
1,4-dimethylanthracene-9,10-dione;1,2,3,4-tetrahydrochrysene
CID 174595165
28-thiaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene
CID 161448851
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554

Frequently Asked Questions

What is the IUPAC name of 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The IUPAC name of 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 158908888) is 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.
What is the SMILES notation for 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The canonical SMILES for 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is Cc1cccc2c1Cc1ccc3c(ccc4ccccc43)c1-2.
What is the InChIKey of 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The InChIKey is KRSACGQVFFTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-14-5-4-8-19-21(14)13-16-10-11-18-17-7-3-2-6-15(17)9-12-20(18)22(16)19/h2-12H,13H2,1H3.
What are the key properties of 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 280.37 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 158908888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).