N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine

C56H37NSi — CID 90164557

IUPACN-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine
SMILESc1ccc(N(c2cc3ccc4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5ccc(c2)c3c45)c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C56H37NSi/c1-5-18-45(19-6-1)57(52-37-40-17-13-15-38-27-28-39-16-14-26-51(52)56(39)53(38)40)46-33-41-29-31-43-35-50(36-44-32-30-42(34-46)54(41)55(43)44)58(47-20-7-2-8-21-47,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-37H
InChIKeyJKBDXURCYRHPOF-UHFFFAOYSA-N
MW752.01 g/mol
LogP12.33
Rot. Bonds7

About N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine

N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine (PubChem CID 90164557) has the molecular formula C56H37NSi and a molecular weight of 752.01 g/mol. Its IUPAC name is N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine.

Molecular Properties

Compound NameN-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine
PubChem CID90164557
Molecular FormulaC56H37NSi
Molecular Weight752.01 g/mol
Exact Mass751.27
IUPAC NameN-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine
SMILESc1ccc(N(c2cc3ccc4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5ccc(c2)c3c45)c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C56H37NSi/c1-5-18-45(19-6-1)57(52-37-40-17-13-15-38-27-28-39-16-14-26-51(52)56(39)53(38)40)46-33-41-29-31-43-35-50(36-44-32-30-42(34-46)54(41)55(43)44)58(47-20-7-2-8-21-47,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-37H
InChIKeyJKBDXURCYRHPOF-UHFFFAOYSA-N
XLogP12.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.01
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 59309126
N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]pyren-4-amine
CID 163727433
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyren-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]aniline
CID 158650281
4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine
CID 59309001
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411842
N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123397867
N-phenyl-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412210
N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412849
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine?
The IUPAC name of N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine (CID 90164557) is N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine.
What is the SMILES notation for N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine?
The canonical SMILES for N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine is c1ccc(N(c2cc3ccc4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5ccc(c2)c3c45)c2cc3cccc4ccc5cccc2c5c43)cc1.
What is the InChIKey of N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine?
The InChIKey is JKBDXURCYRHPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NSi/c1-5-18-45(19-6-1)57(52-37-40-17-13-15-38-27-28-39-16-14-26-51(52)56(39)53(38)40)46-33-41-29-31-43-35-50(36-44-32-30-42(34-46)54(41)55(43)44)58(47-20-7-2-8-21-47,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-37H.
What are the key properties of N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine?
N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine has a molecular weight of 752.01 g/mol, XLogP of 12.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine is sourced from PubChem (CID 90164557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).