8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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

C84H54 — CID 147116359

IUPAC8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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
SMILESCc1ccccc1-c1c2c(c(-c3ccccc3C)c3ccccc13)-c1ccc(-c3ccc4c5c(C)c6c7ccc(-c8cc(-c9ccccc9)cc9cc(-c%10ccccc%10)ccc89)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13
InChIInChI=1S/C84H54/c1-47-20-11-13-26-56(47)81-65-28-15-16-29-66(65)82(57-27-14-12-21-48(57)2)84-72-43-39-60(63-31-19-35-69(80(63)72)83(81)84)59-38-41-70-76-50(4)77-71-42-40-61(64-32-18-34-68(79(64)71)75(77)49(3)74(76)67-33-17-30-62(59)78(67)70)73-46-54(52-24-9-6-10-25-52)45-55-44-53(36-37-58(55)73)51-22-7-5-8-23-51/h5-46H,1-4H3
InChIKeyBNMLFAWVJSXWHS-UHFFFAOYSA-N
MW1063.36 g/mol
LogP23.82
Rot. Bonds6

About 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 147116359) has the molecular formula C84H54 and a molecular weight of 1063.36 g/mol. Its IUPAC name is 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 CID147116359
Molecular FormulaC84H54
Molecular Weight1063.36 g/mol
Exact Mass1062.42
IUPAC Name8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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
SMILESCc1ccccc1-c1c2c(c(-c3ccccc3C)c3ccccc13)-c1ccc(-c3ccc4c5c(C)c6c7ccc(-c8cc(-c9ccccc9)cc9cc(-c%10ccccc%10)ccc89)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13
InChIInChI=1S/C84H54/c1-47-20-11-13-26-56(47)81-65-28-15-16-29-66(65)82(57-27-14-12-21-48(57)2)84-72-43-39-60(63-31-19-35-69(80(63)72)83(81)84)59-38-41-70-76-50(4)77-71-42-40-61(64-32-18-34-68(79(64)71)75(77)49(3)74(76)67-33-17-30-62(59)78(67)70)73-46-54(52-24-9-6-10-25-52)45-55-44-53(36-37-58(55)73)51-22-7-5-8-23-51/h5-46H,1-4H3
InChIKeyBNMLFAWVJSXWHS-UHFFFAOYSA-N
XLogP23.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.36
LogP ≤ 523.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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

3,10-bis(2-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3,10-bis(3-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-1-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-2-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-1-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-2-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 160845252
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
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
8-(3,6-diphenylnaphthalen-1-yl)-22-[7-[4-(hexylamino)oxyphenyl]-12-[4-(octylamino)oxyphenyl]benzo[k]fluoranthen-3-yl]-3-N,15-N-dioctylheptacyclo[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-3,15-diamine
CID 163495127
7,25-bis(2-methylphenyl)-14,32-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-methylphenyl)-14,25-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,25-dinaphthalen-2-yl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-dinaphthalen-2-yl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 159627390
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
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
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
3,10-bis(2-methylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
CID 59642501

Frequently Asked Questions

What is the IUPAC name of 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 147116359) is 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 Cc1ccccc1-c1c2c(c(-c3ccccc3C)c3ccccc13)-c1ccc(-c3ccc4c5c(C)c6c7ccc(-c8cc(-c9ccccc9)cc9cc(-c%10ccccc%10)ccc89)c8cccc(c6c(C)c5c5cccc3c54)c87)c3cccc-2c13.
What is the InChIKey of 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 BNMLFAWVJSXWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54/c1-47-20-11-13-26-56(47)81-65-28-15-16-29-66(65)82(57-27-14-12-21-48(57)2)84-72-43-39-60(63-31-19-35-69(80(63)72)83(81)84)59-38-41-70-76-50(4)77-71-42-40-61(64-32-18-34-68(79(64)71)75(77)49(3)74(76)67-33-17-30-62(59)78(67)70)73-46-54(52-24-9-6-10-25-52)45-55-44-53(36-37-58(55)73)51-22-7-5-8-23-51/h5-46H,1-4H3.
What are the key properties of 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 1063.36 g/mol, XLogP of 23.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7,12-bis(2-methylphenyl)benzo[k]fluoranthen-3-yl]-22-(3,6-diphenylnaphthalen-1-yl)-3,15-dimethylheptacyclo[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 147116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).