3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C53H48N2OSi — CID 140749932

IUPAC3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3
InChIInChI=1S/C53H48N2OSi/c1-52(2)46-33-41(54(37-18-10-8-11-19-37)39-24-28-43(29-25-39)57(5,6)7)26-30-44(46)50-48(52)49-51(56-50)45-31-27-42(34-47(45)53(49,3)4)55(38-20-12-9-13-21-38)40-23-22-35-16-14-15-17-36(35)32-40/h8-34H,1-7H3
InChIKeyASRWPXWOEQASTE-UHFFFAOYSA-N
MW757.07 g/mol
LogP14.53
Rot. Bonds7

About 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 140749932) has the molecular formula C53H48N2OSi and a molecular weight of 757.07 g/mol. Its IUPAC name is 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

Compound Name3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
PubChem CID140749932
Molecular FormulaC53H48N2OSi
Molecular Weight757.07 g/mol
Exact Mass756.35
IUPAC Name3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3
InChIInChI=1S/C53H48N2OSi/c1-52(2)46-33-41(54(37-18-10-8-11-19-37)39-24-28-43(29-25-39)57(5,6)7)26-30-44(46)50-48(52)49-51(56-50)45-31-27-42(34-47(45)53(49,3)4)55(38-20-12-9-13-21-38)40-23-22-35-16-14-15-17-36(35)32-40/h8-34H,1-7H3
InChIKeyASRWPXWOEQASTE-UHFFFAOYSA-N
XLogP14.53
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.07
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine with MolForge

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Related Compounds

3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-16-N-phenanthren-2-yl-6-N,6-N,16-N-triphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 160529658
16-N-dibenzofuran-2-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 140749921
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
CID 140774313
2-N,7-N-dinaphthalen-2-yl-9,9-diphenyl-2-N,7-N-bis(4-trimethylsilylphenyl)fluorene-2,7-diamine
CID 123150757
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 140749920
16-N-dibenzofuran-4-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,6-N,16-N-triphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 160779183
16-N-dibenzothiophen-2-yl-3,3,19,19-tetramethyl-6-N,6-N-diphenyl-16-N-(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 159855208
N-(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90306203
25,25-dimethyl-16-N,28-N-diphenyl-16-N,28-N-bis(4-trimethylsilylphenyl)heptacyclo[20.11.0.02,7.08,13.014,19.024,32.026,31]tritriaconta-1(33),2,4,6,8,10,12,14(19),15,17,20,22,24(32),26(31),27,29-hexadecaene-16,28-diamine
CID 163410937
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
CID 70882539

Frequently Asked Questions

What is the IUPAC name of 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The IUPAC name of 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 140749932) is 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.
What is the SMILES notation for 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The canonical SMILES for 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccc4ccccc4c2)ccc1-3.
What is the InChIKey of 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The InChIKey is ASRWPXWOEQASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N2OSi/c1-52(2)46-33-41(54(37-18-10-8-11-19-37)39-24-28-43(29-25-39)57(5,6)7)26-30-44(46)50-48(52)49-51(56-50)45-31-27-42(34-47(45)53(49,3)4)55(38-20-12-9-13-21-38)40-23-22-35-16-14-15-17-36(35)32-40/h8-34H,1-7H3.
What are the key properties of 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 757.07 g/mol, XLogP of 14.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 140749932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).