N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine

C32H26N2Si — CID 59592475

IUPACN-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C32H26N2Si/c1-33-25-12-14-26(15-13-25)34(27-16-18-28(19-17-27)35(2,3)4)30-21-11-24-9-8-22-6-5-7-23-10-20-29(30)32(24)31(22)23/h5-21H,2-4H3
InChIKeyOCMACRBJMODZFJ-UHFFFAOYSA-N
MW466.66 g/mol
LogP9.15
Rot. Bonds4

About N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine

N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine (PubChem CID 59592475) has the molecular formula C32H26N2Si and a molecular weight of 466.66 g/mol. Its IUPAC name is N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine.

Molecular Properties

Compound NameN-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine
PubChem CID59592475
Molecular FormulaC32H26N2Si
Molecular Weight466.66 g/mol
Exact Mass466.19
IUPAC NameN-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C32H26N2Si/c1-33-25-12-14-26(15-13-25)34(27-16-18-28(19-17-27)35(2,3)4)30-21-11-24-9-8-22-6-5-7-23-10-20-29(30)32(24)31(22)23/h5-21H,2-4H3
InChIKeyOCMACRBJMODZFJ-UHFFFAOYSA-N
XLogP9.15
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-bis[3,5-bis(trimethylsilyl)phenyl]-1-N,6-N-bis(4-isocyanophenyl)pyrene-1,6-diamine
CID 59592478
1-N,6-N-bis(4-isocyanophenyl)-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 59592451
1-N-(4-isocyanophenyl)-6-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 59592481
methyl-[4-(N-[6-(N-(4-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)phenyl]sulfanium
CID 142343015
3-(N-[6-(N-(3-cyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]-3-trimethylsilylanilino)benzonitrile;3-(N-[6-(N-(3-isocyanophenyl)-3-trimethylsilylanilino)pyren-1-yl]anilino)benzonitrile;3-(N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile;3-(3-trimethylsilyl-N-[6-(N-(3-trimethylsilylphenyl)anilino)pyren-1-yl]anilino)benzonitrile
CID 157480791
4-[N-[6-(N-[2,4-difluoro-6-(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-6-(4-trimethylsilylphenyl)anilino]benzonitrile
CID 58099279
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
N-(4-isocyanophenyl)-N,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 140732097
4-[N-[6-(N-[2,4-difluoro-6-(3-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-6-(3-trimethylsilylphenyl)anilino]benzonitrile
CID 58099495
N-(4-isocyanophenyl)-15-phenyl-N-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123464650
1-N,6-N-bis(2,4-difluorophenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58099443
1-N,6-N-bis[5-(2-tert-butylphenyl)-2,4-difluorophenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;4-[5-(N-[6-(N-[2,4-difluoro-5-(4-isocyanophenyl)phenyl]-4-trimethylsilylanilino)pyren-1-yl]-4-trimethylsilylanilino)-2,4-difluorophenyl]benzonitrile
CID 157240037

Frequently Asked Questions

What is the IUPAC name of N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine?
The IUPAC name of N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine (CID 59592475) is N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine.
What is the SMILES notation for N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine?
The canonical SMILES for N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine is [C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine?
The InChIKey is OCMACRBJMODZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2Si/c1-33-25-12-14-26(15-13-25)34(27-16-18-28(19-17-27)35(2,3)4)30-21-11-24-9-8-22-6-5-7-23-10-20-29(30)32(24)31(22)23/h5-21H,2-4H3.
What are the key properties of N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine?
N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine has a molecular weight of 466.66 g/mol, XLogP of 9.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine is sourced from PubChem (CID 59592475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).