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

C61H59NO2Si3 — CID 142700188

IUPAC3,15-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
SMILESCOc1ccc(-c2c3c4ccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C61H59NO2Si3/c1-63-42-26-18-38(19-27-42)54-58-48-16-12-14-46-52(62(40-22-30-44(31-23-40)65(3,4)5)41-24-32-45(33-25-41)66(6,7)8)36-34-50(56(46)48)60(58)55(39-20-28-43(64-2)29-21-39)59-49-17-13-15-47-53(67(9,10)11)37-35-51(57(47)49)61(54)59/h12-37H,1-11H3
InChIKeyOALXYRWPSUXGDU-UHFFFAOYSA-N
MW922.41 g/mol
LogP15.94
Rot. Bonds10

About 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

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 (PubChem CID 142700188) has the molecular formula C61H59NO2Si3 and a molecular weight of 922.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,15-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
PubChem CID142700188
Molecular FormulaC61H59NO2Si3
Molecular Weight922.41 g/mol
Exact Mass921.39
IUPAC Name3,15-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
SMILESCOc1ccc(-c2c3c4ccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C61H59NO2Si3/c1-63-42-26-18-38(19-27-42)54-58-48-16-12-14-46-52(62(40-22-30-44(31-23-40)65(3,4)5)41-24-32-45(33-25-41)66(6,7)8)36-34-50(56(46)48)60(58)55(39-20-28-43(64-2)29-21-39)59-49-17-13-15-47-53(67(9,10)11)37-35-51(57(47)49)61(54)59/h12-37H,1-11H3
InChIKeyOALXYRWPSUXGDU-UHFFFAOYSA-N
XLogP15.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.41
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
[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
[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
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
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
8-N,8-N,22-N,22-N-tetrakis(4-butoxyphenyl)-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 58890322
6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098960
8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)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-3,15-dicarbonitrile
CID 121401522
N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
CID 161409372
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 58890508

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c3c4ccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c5cccc(c3c(-c3ccc(OC)cc3)c3c6ccc([Si](C)(C)C)c7cccc(c23)c76)c54)cc1.
What is the InChIKey of 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?
The InChIKey is OALXYRWPSUXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H59NO2Si3/c1-63-42-26-18-38(19-27-42)54-58-48-16-12-14-46-52(62(40-22-30-44(31-23-40)65(3,4)5)41-24-32-45(33-25-41)66(6,7)8)36-34-50(56(46)48)60(58)55(39-20-28-43(64-2)29-21-39)59-49-17-13-15-47-53(67(9,10)11)37-35-51(57(47)49)61(54)59/h12-37H,1-11H3.
What are the key properties of 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?
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 has a molecular weight of 922.41 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).