8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene

C22H16 — CID 159418774

IUPAC8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
SMILESCc1ccc2ccc3c(c2c1)Cc1c-3ccc2ccccc12
InChIInChI=1S/C22H16/c1-14-6-7-16-9-11-19-18-10-8-15-4-2-3-5-17(15)21(18)13-22(19)20(16)12-14/h2-12H,13H2,1H3
InChIKeyAEOYVYKSMOHIJW-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.87
Rot. Bonds

About 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene

8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene (PubChem CID 159418774) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene.

Molecular Properties

Compound Name8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
PubChem CID159418774
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
SMILESCc1ccc2ccc3c(c2c1)Cc1c-3ccc2ccccc12
InChIInChI=1S/C22H16/c1-14-6-7-16-9-11-19-18-10-8-15-4-2-3-5-17(15)21(18)13-22(19)20(16)12-14/h2-12H,13H2,1H3
InChIKeyAEOYVYKSMOHIJW-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

Analyze 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-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

undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046
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
2-methyl-7,12-dihydrobenzo[a]anthracene
CID 23624934
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
9-methoxy-11H-benzo[a]fluorene
CID 13401823
3-bromopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159448071
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene
CID 175714628
15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene
CID 126501058
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515

Frequently Asked Questions

What is the IUPAC name of 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The IUPAC name of 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene (CID 159418774) is 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene.
What is the SMILES notation for 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The canonical SMILES for 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene is Cc1ccc2ccc3c(c2c1)Cc1c-3ccc2ccccc12.
What is the InChIKey of 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
The InChIKey is AEOYVYKSMOHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-14-6-7-16-9-11-19-18-10-8-15-4-2-3-5-17(15)21(18)13-22(19)20(16)12-14/h2-12H,13H2,1H3.
What are the key properties of 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene?
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-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 8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene is sourced from PubChem (CID 159418774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).