22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine

C56H52N2Si — CID 176850851

IUPAC22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine
SMILESCC(C)(C)c1cc(-c2cccc3c2[nH]c2c(N)cccc2c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2c2ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C56H52N2Si/c1-55(2,3)39-34-38(35-40(36-39)56(4,5)6)45-28-18-29-49-46-26-16-17-27-47(46)51-37-44(32-33-48(51)50-30-19-31-52(57)54(50)58-53(45)49)59(41-20-10-7-11-21-41,42-22-12-8-13-23-42)43-24-14-9-15-25-43/h7-37,58H,57H2,1-6H3
InChIKeyFJMRJHJWWUUTQB-UHFFFAOYSA-N
MW781.13 g/mol
LogP11.97
Rot. Bonds5

About 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine

22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine (PubChem CID 176850851) has the molecular formula C56H52N2Si and a molecular weight of 781.13 g/mol. Its IUPAC name is 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine.

Molecular Properties

Compound Name22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine
PubChem CID176850851
Molecular FormulaC56H52N2Si
Molecular Weight781.13 g/mol
Exact Mass780.39
IUPAC Name22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine
SMILESCC(C)(C)c1cc(-c2cccc3c2[nH]c2c(N)cccc2c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2c2ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C56H52N2Si/c1-55(2,3)39-34-38(35-40(36-39)56(4,5)6)45-28-18-29-49-46-26-16-17-27-47(46)51-37-44(32-33-48(51)50-30-19-31-52(57)54(50)58-53(45)49)59(41-20-10-7-11-21-41,42-22-12-8-13-23-42)43-24-14-9-15-25-43/h7-37,58H,57H2,1-6H3
InChIKeyFJMRJHJWWUUTQB-UHFFFAOYSA-N
XLogP11.97
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.13
LogP ≤ 511.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(9H-carbazol-1-yl)phenyl]-triphenylsilane
CID 141080008
22-(3,5-diphenylphenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaen-18-amine;18-(3,5-diphenylphenyl)-22-nitro-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaene
CID 165081607
22-[4-(9-phenylfluoren-9-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8,10,12,14(19),15,17,22,24-dodecaen-18-amine
CID 177303387
1-[2-(4-phenylphenyl)phenyl]-8-triphenylen-2-yl-9H-carbazole
CID 163727096
[22-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-18-(3,5-ditert-butylphenyl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2(7),3,5,8,10,12,14(19),15,17,23,25-dodecaen-5-yl]-triphenylsilane
CID 176850882
(9,10-dinaphthalen-1-yl-6-triphenylsilylanthracen-2-yl)-triphenylsilane
CID 59348604
18-(3,5-ditert-butylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348364
3-phenyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaen-18-amine
CID 164733943
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane
CID 156630661
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
6,9,20,23-tetrakis(3,5-ditert-butylphenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(29),2,4(30),5,7,9,11,13,15,17,19,21,23,25,27-pentadecaene
CID 58309449
4,12-ditert-butyl-22-phenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932974

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine?
The IUPAC name of 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine (CID 176850851) is 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine.
What is the SMILES notation for 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine?
The canonical SMILES for 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine is CC(C)(C)c1cc(-c2cccc3c2[nH]c2c(N)cccc2c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2c2ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine?
The InChIKey is FJMRJHJWWUUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N2Si/c1-55(2,3)39-34-38(35-40(36-39)56(4,5)6)45-28-18-29-49-46-26-16-17-27-47(46)51-37-44(32-33-48(51)50-30-19-31-52(57)54(50)58-53(45)49)59(41-20-10-7-11-21-41,42-22-12-8-13-23-42)43-24-14-9-15-25-43/h7-37,58H,57H2,1-6H3.
What are the key properties of 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine?
22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine has a molecular weight of 781.13 g/mol, XLogP of 11.97, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,5-ditert-butylphenyl)-10-triphenylsilyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(21),2,4,6,8(13),9,11,14(19),15,17,22,24-dodecaen-18-amine is sourced from PubChem (CID 176850851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).