8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)

C79H82 — CID 143462368

IUPAC8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)
SMILESC.Cc1ccc(-c2c3c4cccc5c(C)ccc(c3c(-c3ccc(C)cc3)c3c6cccc7c(C)ccc(c23)c76)c54)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1
InChIInChI=1S/C42H30.4C9H12.CH4/c1-23-11-17-27(18-12-23)35-39-31-9-5-7-29-26(4)16-22-34(37(29)31)42(39)36(28-19-13-24(2)14-20-28)40-32-10-6-8-30-25(3)15-21-33(38(30)32)41(35)40;4*1-7-4-5-8(2)9(3)6-7;/h5-22H,1-4H3;4*4-6H,1-3H3;1H4
InChIKeyIWKVNMSATWGRQA-UHFFFAOYSA-N
MW1031.52 g/mol
LogP23.13
Rot. Bonds2

About 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)

8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) (PubChem CID 143462368) has the molecular formula C79H82 and a molecular weight of 1031.52 g/mol. Its IUPAC name is 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene).

Molecular Properties

Compound Name8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)
PubChem CID143462368
Molecular FormulaC79H82
Molecular Weight1031.52 g/mol
Exact Mass1030.64
IUPAC Name8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)
SMILESC.Cc1ccc(-c2c3c4cccc5c(C)ccc(c3c(-c3ccc(C)cc3)c3c6cccc7c(C)ccc(c23)c76)c54)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1
InChIInChI=1S/C42H30.4C9H12.CH4/c1-23-11-17-27(18-12-23)35-39-31-9-5-7-29-26(4)16-22-34(37(29)31)42(39)36(28-19-13-24(2)14-20-28)40-32-10-6-8-30-25(3)15-21-33(38(30)32)41(35)40;4*1-7-4-5-8(2)9(3)6-7;/h5-22H,1-4H3;4*4-6H,1-3H3;1H4
InChIKeyIWKVNMSATWGRQA-UHFFFAOYSA-N
XLogP23.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.52
LogP ≤ 523.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) with MolForge

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Related Compounds

8,22-bis(9,10-dimethyl-7,12-diphenylbenzo[k]fluoranthen-3-yl)-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163825678
22-methyl-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8-carbonitrile
CID 123593902
1,2,4-trimethylbenzene
CID 7247
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142912
7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
3,4,9-trimethylperylene
CID 59598979
4,10-dimethyl-2,8-bis(4-methylphenyl)perylene
CID 123706670
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
4,9-dimethyl-2,11-bis(4-methylphenyl)perylene
CID 123251598
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146

Frequently Asked Questions

What is the IUPAC name of 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)?
The IUPAC name of 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) (CID 143462368) is 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene).
What is the SMILES notation for 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)?
The canonical SMILES for 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) is C.Cc1ccc(-c2c3c4cccc5c(C)ccc(c3c(-c3ccc(C)cc3)c3c6cccc7c(C)ccc(c23)c76)c54)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.
What is the InChIKey of 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)?
The InChIKey is IWKVNMSATWGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.4C9H12.CH4/c1-23-11-17-27(18-12-23)35-39-31-9-5-7-29-26(4)16-22-34(37(29)31)42(39)36(28-19-13-24(2)14-20-28)40-32-10-6-8-30-25(3)15-21-33(38(30)32)41(35)40;4*1-7-4-5-8(2)9(3)6-7;/h5-22H,1-4H3;4*4-6H,1-3H3;1H4.
What are the key properties of 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene)?
8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) has a molecular weight of 1031.52 g/mol, XLogP of 23.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,20-dimethyl-3,15-bis(4-methylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene;methane;tetrakis(1,2,4-trimethylbenzene) is sourced from PubChem (CID 143462368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).