8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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

C71H50 — CID 163677676

IUPAC8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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
SMILESCCc1ccc(CC)c2c1-c1cccc3c(-c4ccc5c6cc7c(cc6c6cccc4c65)c4cccc5c(-c6ccc8c9c(cccc69)-c6c-8c(CC)c8c(C)cccc8c6CC)ccc7c54)ccc-2c13
InChIInChI=1S/C71H50/c1-6-38-25-26-39(7-2)65-57-33-29-44(49-19-13-23-55(64(38)65)68(49)57)42-27-31-53-61-36-62-54-32-28-43(48-18-12-22-52(67(48)54)60(62)35-59(61)51-21-11-17-47(42)66(51)53)45-30-34-58-69-50(45)20-14-24-56(69)70-40(8-3)46-16-10-15-37(5)63(46)41(9-4)71(58)70/h10-36H,6-9H2,1-5H3
InChIKeyJICFQOCGPPVYIQ-UHFFFAOYSA-N
MW903.18 g/mol
LogP20.13
Rot. Bonds6

About 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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

8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 (PubChem CID 163677676) has the molecular formula C71H50 and a molecular weight of 903.18 g/mol. Its IUPAC name is 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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.

Molecular Properties

Compound Name8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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
PubChem CID163677676
Molecular FormulaC71H50
Molecular Weight903.18 g/mol
Exact Mass902.39
IUPAC Name8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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
SMILESCCc1ccc(CC)c2c1-c1cccc3c(-c4ccc5c6cc7c(cc6c6cccc4c65)c4cccc5c(-c6ccc8c9c(cccc69)-c6c-8c(CC)c8c(C)cccc8c6CC)ccc7c54)ccc-2c13
InChIInChI=1S/C71H50/c1-6-38-25-26-39(7-2)65-57-33-29-44(49-19-13-23-55(64(38)65)68(49)57)42-27-31-53-61-36-62-54-32-28-43(48-18-12-22-52(67(48)54)60(62)35-59(61)51-21-11-17-47(42)66(51)53)45-30-34-58-69-50(45)20-14-24-56(69)70-40(8-3)46-16-10-15-37(5)63(46)41(9-4)71(58)70/h10-36H,6-9H2,1-5H3
InChIKeyJICFQOCGPPVYIQ-UHFFFAOYSA-N
XLogP20.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.18
LogP ≤ 520.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 with MolForge

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Related Compounds

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
7,10-diethyl-8-naphthalen-1-ylfluoranthene
CID 13193577
8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)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 152909121
6,9-bis(2,6-dimethylphenyl)-20,23-diphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1,3,5,7,9,11,13,15(30),16,18(29),19,21,23,25,27-pentadecaene
CID 123260082
8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[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 163880962
10,26-dinaphthalen-1-yl-3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(29),2,4(18),5,7(30),8,10,12,14,16,19,21,23,25,27-pentadecaene
CID 123976899
3,18,30,31-tetraethyl-29,32-diphenyldodecacyclo[21.17.2.224,27.02,19.04,17.05,10.011,16.020,41.025,37.026,34.028,33.038,42]tetratetraconta-1(41),2(19),3,5,7,9,11,13,15,17,20,22,24(44),25(37),26(34),27(43),28,30,32,35,38(42),39-docosaene
CID 163998014
9-chloro-7,12-diethylbenzo[k]fluoranthene
CID 10860822
7-(2,6-dimethylphenyl)-19-fluoranthen-3-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454174
3,15-bis(2-methylphenyl)-8-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 168812662
3,4-diethyl-8-methylisochromen-1-one
CID 164678535
8-(2,6-dimethylphenyl)-21,22-dimethyl-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58068102

Frequently Asked Questions

What is the IUPAC name of 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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?
The IUPAC name of 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 163677676) is 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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.
What is the SMILES notation for 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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?
The canonical SMILES for 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 is CCc1ccc(CC)c2c1-c1cccc3c(-c4ccc5c6cc7c(cc6c6cccc4c65)c4cccc5c(-c6ccc8c9c(cccc69)-c6c-8c(CC)c8c(C)cccc8c6CC)ccc7c54)ccc-2c13.
What is the InChIKey of 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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?
The InChIKey is JICFQOCGPPVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50/c1-6-38-25-26-39(7-2)65-57-33-29-44(49-19-13-23-55(64(38)65)68(49)57)42-27-31-53-61-36-62-54-32-28-43(48-18-12-22-52(67(48)54)60(62)35-59(61)51-21-11-17-47(42)66(51)53)45-30-34-58-69-50(45)20-14-24-56(69)70-40(8-3)46-16-10-15-37(5)63(46)41(9-4)71(58)70/h10-36H,6-9H2,1-5H3.
What are the key properties of 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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?
8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 has a molecular weight of 903.18 g/mol, XLogP of 20.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)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 is sourced from PubChem (CID 163677676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).