8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene

C28H22 — CID 144568595

IUPAC8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene
SMILESCCCc1c(C)ccc2c1ccc1cc3c(cc12)-c1cccc2cccc-3c12
InChIInChI=1S/C28H22/c1-3-6-20-17(2)11-13-22-21(20)14-12-19-15-26-23-9-4-7-18-8-5-10-24(28(18)23)27(26)16-25(19)22/h4-5,7-16H,3,6H2,1-2H3
InChIKeyONXUJDUBSSLMFL-UHFFFAOYSA-N
MW358.48 g/mol
LogP8.05
Rot. Bonds2

About 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene

8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene (PubChem CID 144568595) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene.

Molecular Properties

Compound Name8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene
PubChem CID144568595
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene
SMILESCCCc1c(C)ccc2c1ccc1cc3c(cc12)-c1cccc2cccc-3c12
InChIInChI=1S/C28H22/c1-3-6-20-17(2)11-13-22-21(20)14-12-19-15-26-23-9-4-7-18-8-5-10-24(28(18)23)27(26)16-25(19)22/h4-5,7-16H,3,6H2,1-2H3
InChIKeyONXUJDUBSSLMFL-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene 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

8-methylbenzo[k]fluoranthene
CID 13440508
dodecacyclo[31.11.1.111,19.02,32.04,30.05,27.08,26.010,24.013,18.037,45.038,43.023,46]hexatetraconta-1(44),2(32),3,5(27),6,8,10(24),11,13,15,17,19(46),20,22,25,28,30,33,35,37(45),38,40,42-tricosaene
CID 163204370
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
6-methyl-5-propylnaphthalen-2-ol
CID 144690902
(10,14-dimethyl-13-nonacyclo[23.6.2.18,12.02,20.05,19.07,17.022,32.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8,10,12,14,16(34),18,21,23,25(33),26,28,30-heptadecaenyl)methanol
CID 155786171
benzo[k]fluoranthene;ethane
CID 142369852
hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9(24),10,12,14(23),15,17,19,21-dodecaene;hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16,18,20,22-dodecaene;hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene;triphenylene
CID 159976074
benzo[a]pyrene;benzo[k]fluoranthene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene;pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 172768379
1-(2-methylphenyl)picene
CID 173138076
30-methylundecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4,6(23),7,9,11,13,15,17,19,21,24,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123954311
23-methyl-21-thiaoctacyclo[15.13.1.02,15.05,14.06,11.018,26.020,24.027,31]hentriaconta-1,3,5(14),6,8,10,12,15,17(31),18(26),19,22,24,27,29-pentadecaene
CID 139338752
5-methyl-7-thiaheptacyclo[13.11.1.02,10.04,8.011,27.016,25.019,24]heptacosa-1(27),2(10),3,5,8,11,13,15,17,19,21,23,25-tridecaene
CID 139338731

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene?
The IUPAC name of 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene (CID 144568595) is 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene.
What is the SMILES notation for 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene?
The canonical SMILES for 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene is CCCc1c(C)ccc2c1ccc1cc3c(cc12)-c1cccc2cccc-3c12.
What is the InChIKey of 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene?
The InChIKey is ONXUJDUBSSLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-3-6-20-17(2)11-13-22-21(20)14-12-19-15-26-23-9-4-7-18-8-5-10-24(28(18)23)27(26)16-25(19)22/h4-5,7-16H,3,6H2,1-2H3.
What are the key properties of 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene?
8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene has a molecular weight of 358.48 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene is sourced from PubChem (CID 144568595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).