8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene

C70H48 — CID 163470592

IUPAC8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
SMILESCCc1c2c(c(CC)c3ccccc13)-c1cc(C)c(-c3ccc4c5c(C)c6c7ccc(-c8c(C)cc9c%10c(cccc8%10)-c8ccccc8-9)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13
InChIInChI=1S/C70H48/c1-7-39-41-17-9-10-18-42(41)40(8-2)70-58-34-36(4)60(51-25-16-28-54(68(51)58)69(39)70)49-30-32-56-64-38(6)63-55-31-29-48(59-35(3)33-57-44-20-12-11-19-43(44)45-21-13-24-50(59)67(45)57)46-22-14-26-52(65(46)55)61(63)37(5)62(64)53-27-15-23-47(49)66(53)56/h9-34H,7-8H2,1-6H3
InChIKeyBWFVETIGVHPJPF-UHFFFAOYSA-N
MW889.15 g/mol
LogP19.93
Rot. Bonds4

About 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene

8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene (PubChem CID 163470592) has the molecular formula C70H48 and a molecular weight of 889.15 g/mol. Its IUPAC name is 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene.

Molecular Properties

Compound Name8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
PubChem CID163470592
Molecular FormulaC70H48
Molecular Weight889.15 g/mol
Exact Mass888.38
IUPAC Name8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
SMILESCCc1c2c(c(CC)c3ccccc13)-c1cc(C)c(-c3ccc4c5c(C)c6c7ccc(-c8c(C)cc9c%10c(cccc8%10)-c8ccccc8-9)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13
InChIInChI=1S/C70H48/c1-7-39-41-17-9-10-18-42(41)40(8-2)70-58-34-36(4)60(51-25-16-28-54(68(51)58)69(39)70)49-30-32-56-64-38(6)63-55-31-29-48(59-35(3)33-57-44-20-12-11-19-43(44)45-21-13-24-50(59)67(45)57)46-22-14-26-52(65(46)55)61(63)37(5)62(64)53-27-15-23-47(49)66(53)56/h9-34H,7-8H2,1-6H3
InChIKeyBWFVETIGVHPJPF-UHFFFAOYSA-N
XLogP19.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.15
LogP ≤ 519.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene with MolForge

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Related Compounds

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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
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Frequently Asked Questions

What is the IUPAC name of 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The IUPAC name of 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene (CID 163470592) is 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene.
What is the SMILES notation for 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The canonical SMILES for 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene is CCc1c2c(c(CC)c3ccccc13)-c1cc(C)c(-c3ccc4c5c(C)c6c7ccc(-c8c(C)cc9c%10c(cccc8%10)-c8ccccc8-9)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13.
What is the InChIKey of 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The InChIKey is BWFVETIGVHPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48/c1-7-39-41-17-9-10-18-42(41)40(8-2)70-58-34-36(4)60(51-25-16-28-54(68(51)58)69(39)70)49-30-32-56-64-38(6)63-55-31-29-48(59-35(3)33-57-44-20-12-11-19-43(44)45-21-13-24-50(59)67(45)57)46-22-14-26-52(65(46)55)61(63)37(5)62(64)53-27-15-23-47(49)66(53)56/h9-34H,7-8H2,1-6H3.
What are the key properties of 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene has a molecular weight of 889.15 g/mol, XLogP of 19.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene is sourced from PubChem (CID 163470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).