1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

C60H56N2Si2 — CID 58383811

IUPAC1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESCc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cccc(C)c5)cc(-c5ccccc5)c5ccc2c3c54)c1
InChIInChI=1S/C60H56N2Si2/c1-41-17-15-23-47(37-41)61(45-25-29-49(30-26-45)63(3,4)5)57-39-55(43-19-11-9-12-20-43)51-34-36-54-58(40-56(44-21-13-10-14-22-44)52-33-35-53(57)59(51)60(52)54)62(48-24-16-18-42(2)38-48)46-27-31-50(32-28-46)64(6,7)8/h9-40H,1-8H3
InChIKeyBYOCJCPJCCJZBE-UHFFFAOYSA-N
MW861.29 g/mol
LogP16.56
Rot. Bonds10

About 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 58383811) has the molecular formula C60H56N2Si2 and a molecular weight of 861.29 g/mol. Its IUPAC name is 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
PubChem CID58383811
Molecular FormulaC60H56N2Si2
Molecular Weight861.29 g/mol
Exact Mass860.40
IUPAC Name1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESCc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cccc(C)c5)cc(-c5ccccc5)c5ccc2c3c54)c1
InChIInChI=1S/C60H56N2Si2/c1-41-17-15-23-47(37-41)61(45-25-29-49(30-26-45)63(3,4)5)57-39-55(43-19-11-9-12-20-43)51-34-36-54-58(40-56(44-21-13-10-14-22-44)52-33-35-53(57)59(51)60(52)54)62(48-24-16-18-42(2)38-48)46-27-31-50(32-28-46)64(6,7)8/h9-40H,1-8H3
InChIKeyBYOCJCPJCCJZBE-UHFFFAOYSA-N
XLogP16.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.29
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine 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

3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383819
1-N,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056
1-N,6-N-bis(4-tert-butylphenyl)-3,8-bis(4-methylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383913
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
N,N-bis(3,5-dimethylphenyl)-6-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-2-methylphenyl]-3,8-diphenylpyren-1-amine
CID 118516681
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
3,8-dimethyl-1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)pyrene-1,6-diamine
CID 59645632

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 58383811) is 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is Cc1cccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5cccc(C)c5)cc(-c5ccccc5)c5ccc2c3c54)c1.
What is the InChIKey of 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The InChIKey is BYOCJCPJCCJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N2Si2/c1-41-17-15-23-47(37-41)61(45-25-29-49(30-26-45)63(3,4)5)57-39-55(43-19-11-9-12-20-43)51-34-36-54-58(40-56(44-21-13-10-14-22-44)52-33-35-53(57)59(51)60(52)54)62(48-24-16-18-42(2)38-48)46-27-31-50(32-28-46)64(6,7)8/h9-40H,1-8H3.
What are the key properties of 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 861.29 g/mol, XLogP of 16.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 58383811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).