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

C108H70 — CID 163825678

IUPAC8,22-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
SMILESCc1ccc(-c2c3c4cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7cc(C)c(C)cc7c6-c6ccccc6)ccc(c3c(-c3ccc(C)cc3)c3c6ccc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8cc(C)c(C)cc8c7-c7ccccc7)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C108H70/c1-59-39-43-69(44-40-59)95-105-81-37-21-33-77-73(71-47-51-83-97-75(71)31-19-35-79(97)101-91(65-23-11-7-12-24-65)87-55-61(3)63(5)57-89(87)93(103(83)101)67-27-15-9-16-28-67)49-53-85(99(77)81)107(105)96(70-45-41-60(2)42-46-70)108-86-54-50-74(78-34-22-38-82(100(78)86)106(95)108)72-48-52-84-98-76(72)32-20-36-80(98)102-92(66-25-13-8-14-26-66)88-56-62(4)64(6)58-90(88)94(104(84)102)68-29-17-10-18-30-68/h7-58H,1-6H3
InChIKeyNZGLFXWKRHULNC-UHFFFAOYSA-N
MW1367.75 g/mol
LogP30.58
Rot. Bonds8

About 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

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 (PubChem CID 163825678) has the molecular formula C108H70 and a molecular weight of 1367.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8,22-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
PubChem CID163825678
Molecular FormulaC108H70
Molecular Weight1367.75 g/mol
Exact Mass1366.55
IUPAC Name8,22-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
SMILESCc1ccc(-c2c3c4cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7cc(C)c(C)cc7c6-c6ccccc6)ccc(c3c(-c3ccc(C)cc3)c3c6ccc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8cc(C)c(C)cc8c7-c7ccccc7)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C108H70/c1-59-39-43-69(44-40-59)95-105-81-37-21-33-77-73(71-47-51-83-97-75(71)31-19-35-79(97)101-91(65-23-11-7-12-24-65)87-55-61(3)63(5)57-89(87)93(103(83)101)67-27-15-9-16-28-67)49-53-85(99(77)81)107(105)96(70-45-41-60(2)42-46-70)108-86-54-50-74(78-34-22-38-82(100(78)86)106(95)108)72-48-52-84-98-76(72)32-20-36-80(98)102-92(66-25-13-8-14-26-66)88-56-62(4)64(6)58-90(88)94(104(84)102)68-29-17-10-18-30-68/h7-58H,1-6H3
InChIKeyNZGLFXWKRHULNC-UHFFFAOYSA-N
XLogP30.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.75
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
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
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
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
boranuide;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7,9,11(26),12,14,16,18(25),19,21,23-tridecaene;7,14,37-triphenyltridecacyclo[21.18.2.22,5.125,32.03,19.04,16.06,15.08,13.020,42.024,38.026,31.039,43.036,44]hexatetraconta-1(41),2(46),3(19),4(16),5(45),6,8,10,12,14,17,20(42),21,23(43),24,26,28,30,32(44),33,35,37,39-tricosaene
CID 157120160
8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-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 163714484
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
21-(4-methylphenyl)-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene
CID 59642610

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2c3c4cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7cc(C)c(C)cc7c6-c6ccccc6)ccc(c3c(-c3ccc(C)cc3)c3c6ccc(-c7ccc8c9c(cccc79)-c7c-8c(-c8ccccc8)c8cc(C)c(C)cc8c7-c7ccccc7)c7cccc(c23)c76)c54)cc1.
What is the InChIKey of 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?
The InChIKey is NZGLFXWKRHULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H70/c1-59-39-43-69(44-40-59)95-105-81-37-21-33-77-73(71-47-51-83-97-75(71)31-19-35-79(97)101-91(65-23-11-7-12-24-65)87-55-61(3)63(5)57-89(87)93(103(83)101)67-27-15-9-16-28-67)49-53-85(99(77)81)107(105)96(70-45-41-60(2)42-46-70)108-86-54-50-74(78-34-22-38-82(100(78)86)106(95)108)72-48-52-84-98-76(72)32-20-36-80(98)102-92(66-25-13-8-14-26-66)88-56-62(4)64(6)58-90(88)94(104(84)102)68-29-17-10-18-30-68/h7-58H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1367.75 g/mol, XLogP of 30.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163825678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).