18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene

C78H54 — CID 123784585

IUPAC18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene
SMILESC=C(c1cc2c(cc1C(=CC1=CC=C3c4ccc5c6c(ccc(c46)C4=CC=CC1C43)-c1ccc(-c3c(C)cccc3C)cc1-5)c1ccccc1-c1ccccc1)C1=CC=CC3C=CC=C2C13)c1ccccc1-c1ccccc1
InChIInChI=1S/C78H54/c1-46-18-14-19-47(2)74(46)53-35-36-59-63-38-39-65-60-33-17-30-57-52(34-37-64(76(57)60)66-40-41-67(69(59)43-53)77(63)78(65)66)42-70(58-29-13-12-28-56(58)50-22-8-5-9-23-50)73-45-72-62-32-16-25-51-24-15-31-61(75(51)62)71(72)44-68(73)48(3)54-26-10-11-27-55(54)49-20-6-4-7-21-49/h4-45,51,57,75-76H,3H2,1-2H3
InChIKeyVYCFPXJINIXWPX-UHFFFAOYSA-N
MW991.29 g/mol
LogP19.97
Rot. Bonds8

About 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene

18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene (PubChem CID 123784585) has the molecular formula C78H54 and a molecular weight of 991.29 g/mol. Its IUPAC name is 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene.

Molecular Properties

Compound Name18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene
PubChem CID123784585
Molecular FormulaC78H54
Molecular Weight991.29 g/mol
Exact Mass990.42
IUPAC Name18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene
SMILESC=C(c1cc2c(cc1C(=CC1=CC=C3c4ccc5c6c(ccc(c46)C4=CC=CC1C43)-c1ccc(-c3c(C)cccc3C)cc1-5)c1ccccc1-c1ccccc1)C1=CC=CC3C=CC=C2C13)c1ccccc1-c1ccccc1
InChIInChI=1S/C78H54/c1-46-18-14-19-47(2)74(46)53-35-36-59-63-38-39-65-60-33-17-30-57-52(34-37-64(76(57)60)66-40-41-67(69(59)43-53)77(63)78(65)66)42-70(58-29-13-12-28-56(58)50-22-8-5-9-23-50)73-45-72-62-32-16-25-51-24-15-31-61(75(51)62)71(72)44-68(73)48(3)54-26-10-11-27-55(54)49-20-6-4-7-21-49/h4-45,51,57,75-76H,3H2,1-2H3
InChIKeyVYCFPXJINIXWPX-UHFFFAOYSA-N
XLogP19.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene with MolForge

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Related Compounds

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CID 123563304
3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene
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5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene
CID 123521813
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305
1-(1-azulen-1-ylethenyl)azulene
CID 21389906
5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
CID 91120642
9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene
CID 160808961
N-[4-[2-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,8,10,12,14,16,18,20,22,25,27-tridecaenyl)phenyl]phenyl]-N,4-diphenylaniline
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ethene;methane;1-methyl-2-[2-methyl-5-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-3-prop-1-en-2-ylbenzene;(2Z,4Z,6E)-octa-2,4,6-triene;prop-1-en-2-ylbenzene;toluene
CID 145007178
26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene
CID 123929460
7-(2-methylphenyl)-10,21-diphenyl-24-(2-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2(32),3(15),4(12),5(31),6,8,10,13,16(29),17,19(30),20,22,24,26-hexadecaene
CID 58927051
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693

Frequently Asked Questions

What is the IUPAC name of 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene?
The IUPAC name of 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene (CID 123784585) is 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene.
What is the SMILES notation for 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene?
The canonical SMILES for 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene is C=C(c1cc2c(cc1C(=CC1=CC=C3c4ccc5c6c(ccc(c46)C4=CC=CC1C43)-c1ccc(-c3c(C)cccc3C)cc1-5)c1ccccc1-c1ccccc1)C1=CC=CC3C=CC=C2C13)c1ccccc1-c1ccccc1.
What is the InChIKey of 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene?
The InChIKey is VYCFPXJINIXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54/c1-46-18-14-19-47(2)74(46)53-35-36-59-63-38-39-65-60-33-17-30-57-52(34-37-64(76(57)60)66-40-41-67(69(59)43-53)77(63)78(65)66)42-70(58-29-13-12-28-56(58)50-22-8-5-9-23-50)73-45-72-62-32-16-25-51-24-15-31-61(75(51)62)71(72)44-68(73)48(3)54-26-10-11-27-55(54)49-20-6-4-7-21-49/h4-45,51,57,75-76H,3H2,1-2H3.
What are the key properties of 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene?
18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene has a molecular weight of 991.29 g/mol, XLogP of 19.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene is sourced from PubChem (CID 123784585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).