N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C60H52N2OSi2 — CID 140868277

IUPACN-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3O6)cc2)cc1
InChIInChI=1S/C60H52N2OSi2/c1-64(2,3)48-33-28-45(29-34-48)61(42-16-9-7-10-17-42)44-26-24-41(25-27-44)54-39-56-53-22-15-23-58-60(53)57(40-55(56)51-21-14-13-20-50(51)54)52-37-32-47(38-59(52)63-58)62(43-18-11-8-12-19-43)46-30-35-49(36-31-46)65(4,5)6/h7-40H,1-6H3
InChIKeyFSTQKSKJGGXQTJ-UHFFFAOYSA-N
MW873.26 g/mol
LogP16.62
Rot. Bonds9

About N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 140868277) has the molecular formula C60H52N2OSi2 and a molecular weight of 873.26 g/mol. Its IUPAC name is N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
PubChem CID140868277
Molecular FormulaC60H52N2OSi2
Molecular Weight873.26 g/mol
Exact Mass872.36
IUPAC NameN-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3O6)cc2)cc1
InChIInChI=1S/C60H52N2OSi2/c1-64(2,3)48-33-28-45(29-34-48)61(42-16-9-7-10-17-42)44-26-24-41(25-27-44)54-39-56-53-22-15-23-58-60(53)57(40-55(56)51-21-14-13-20-50(51)54)52-37-32-47(38-59(52)63-58)62(43-18-11-8-12-19-43)46-30-35-49(36-31-46)65(4,5)6/h7-40H,1-6H3
InChIKeyFSTQKSKJGGXQTJ-UHFFFAOYSA-N
XLogP16.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.26
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine with MolForge

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Related Compounds

N,N-diphenyl-4-[6-(N-phenylanilino)naphthalen-2-yl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 118149021
N,N-diphenyl-5-[17-(N-phenylanilino)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-yl]pyridin-2-amine
CID 118149024
N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 140711844
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-3,9-bis(trimethylsilyl)chrysen-6-yl]aniline
CID 58879315
4-(6-diphenylboranylnaphthalen-2-yl)-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140722062
N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 118148995
4-N-dibenzofuran-4-yl-4-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-dibenzofuran-4-yl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-naphthalen-2-yl-4-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 159690787
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300
N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685
17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 163774622
4-N,17-N-bis(9,9-dimethylfluoren-2-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-bis(2-phenylphenyl)-4-N,17-N-dipyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 158370013
4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N-bis(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzothiophen-2-yl)-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 160645618

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The IUPAC name of N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 140868277) is N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.
What is the SMILES notation for N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The canonical SMILES for N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3O6)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The InChIKey is FSTQKSKJGGXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2OSi2/c1-64(2,3)48-33-28-45(29-34-48)61(42-16-9-7-10-17-42)44-26-24-41(25-27-44)54-39-56-53-22-15-23-58-60(53)57(40-55(56)51-21-14-13-20-50(51)54)52-37-32-47(38-59(52)63-58)62(43-18-11-8-12-19-43)46-30-35-49(36-31-46)65(4,5)6/h7-40H,1-6H3.
What are the key properties of N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 873.26 g/mol, XLogP of 16.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-trimethylsilylphenyl)-4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 140868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).