[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane

C43H33BrO2Si — CID 142700190

IUPAC[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane
SMILESCOc1ccc(-c2c3c4ccc(Br)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C43H33BrO2Si/c1-45-26-16-12-24(13-17-26)36-40-30-10-6-8-28-34(44)22-20-32(38(28)30)42(40)37(25-14-18-27(46-2)19-15-25)41-31-11-7-9-29-35(47(3,4)5)23-21-33(39(29)31)43(36)41/h6-23H,1-5H3
InChIKeyMSHAYKVMTFEWSA-UHFFFAOYSA-N
MW689.73 g/mol
LogP12.14
Rot. Bonds5

About [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane

[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane (PubChem CID 142700190) has the molecular formula C43H33BrO2Si and a molecular weight of 689.73 g/mol. Its IUPAC name is [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane.

Molecular Properties

Compound Name[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane
PubChem CID142700190
Molecular FormulaC43H33BrO2Si
Molecular Weight689.73 g/mol
Exact Mass688.14
IUPAC Name[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane
SMILESCOc1ccc(-c2c3c4ccc(Br)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C43H33BrO2Si/c1-45-26-16-12-24(13-17-26)36-40-30-10-6-8-28-34(44)22-20-32(38(28)30)42(40)37(25-14-18-27(46-2)19-15-25)41-31-11-7-9-29-35(47(3,4)5)23-21-33(39(29)31)43(36)41/h6-23H,1-5H3
InChIKeyMSHAYKVMTFEWSA-UHFFFAOYSA-N
XLogP12.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.73
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane with MolForge

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Related Compounds

3,15-bis(4-methoxyphenyl)-20-trimethylsilyl-N,N-bis(4-trimethylsilylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
CID 142700188
9,24,36-tris(4-methoxyphenyl)tridecacyclo[20.18.2.22,5.16,10.126,30.03,18.04,15.019,41.023,37.025,35.038,42.014,44.034,43]hexatetraconta-1(40),2(46),3(18),4(15),5(45),6,8,10,12,14(44),16,19(41),20,22(42),23,25(35),26,28,30(43),31,33,36,38-tricosaene
CID 147141731
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[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-diamine
CID 58890363
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
3,10-dibromoperylene
CID 11090875
[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-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-tridecaenyl]anilino)phenyl]phosphanium
CID 142208301
8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)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-diamine
CID 58890448
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
[3-bromo-8-chloro-1-(4-methoxyphenyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 22048150
3,15-bis(4-methoxyphenyl)-26,27,29-triphenyldodecacyclo[18.17.2.221,24.15,9.02,16.04,14.017,38.022,34.023,31.025,30.035,39.013,42]dotetraconta-1(38),2,4(14),5,7,9(42),10,12,15,17,19,21(41),22(34),23(31),24(40),25,27,29,32,35(39),36-henicosaene
CID 163861356
9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
CID 134959930
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794

Frequently Asked Questions

What is the IUPAC name of [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane?
The IUPAC name of [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane (CID 142700190) is [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane.
What is the SMILES notation for [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane?
The canonical SMILES for [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane is COc1ccc(-c2c3c4ccc(Br)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1.
What is the InChIKey of [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane?
The InChIKey is MSHAYKVMTFEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33BrO2Si/c1-45-26-16-12-24(13-17-26)36-40-30-10-6-8-28-34(44)22-20-32(38(28)30)42(40)37(25-14-18-27(46-2)19-15-25)41-31-11-7-9-29-35(47(3,4)5)23-21-33(39(29)31)43(36)41/h6-23H,1-5H3.
What are the key properties of [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane?
[20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane has a molecular weight of 689.73 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [20-bromo-3,15-bis(4-methoxyphenyl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl]-trimethylsilane is sourced from PubChem (CID 142700190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).