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

C62H60N2Si2 — CID 58383819

IUPAC1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5ccc(C)c(C)c5)cc(-c5ccccc5)c5ccc2c3c54)cc1C
InChIInChI=1S/C62H60N2Si2/c1-41-21-23-49(37-43(41)3)63(47-25-29-51(30-26-47)65(5,6)7)59-39-57(45-17-13-11-14-18-45)53-34-36-56-60(40-58(46-19-15-12-16-20-46)54-33-35-55(59)61(53)62(54)56)64(50-24-22-42(2)44(4)38-50)48-27-31-52(32-28-48)66(8,9)10/h11-40H,1-10H3
InChIKeyPAVZRVSRFINFAL-UHFFFAOYSA-N
MW889.35 g/mol
LogP17.18
Rot. Bonds10

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

1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 58383819) has the molecular formula C62H60N2Si2 and a molecular weight of 889.35 g/mol. Its IUPAC name is 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
PubChem CID58383819
Molecular FormulaC62H60N2Si2
Molecular Weight889.35 g/mol
Exact Mass888.43
IUPAC Name1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5ccc(C)c(C)c5)cc(-c5ccccc5)c5ccc2c3c54)cc1C
InChIInChI=1S/C62H60N2Si2/c1-41-21-23-49(37-43(41)3)63(47-25-29-51(30-26-47)65(5,6)7)59-39-57(45-17-13-11-14-18-45)53-34-36-56-60(40-58(46-19-15-12-16-20-46)54-33-35-55(59)61(53)62(54)56)64(50-24-22-42(2)44(4)38-50)48-27-31-52(32-28-48)66(8,9)10/h11-40H,1-10H3
InChIKeyPAVZRVSRFINFAL-UHFFFAOYSA-N
XLogP17.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.35
LogP ≤ 517.18
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'}

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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-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383811
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
1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158240159
1-N,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
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,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis(4-ethylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine
CID 58322846
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
3,8-dimethyl-N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516665
1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 140793532

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 58383819) is 1-N,6-N-bis(3,4-dimethylphenyl)-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(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc([Si](C)(C)C)cc5)c5ccc(C)c(C)c5)cc(-c5ccccc5)c5ccc2c3c54)cc1C.
What is the InChIKey of 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The InChIKey is PAVZRVSRFINFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N2Si2/c1-41-21-23-49(37-43(41)3)63(47-25-29-51(30-26-47)65(5,6)7)59-39-57(45-17-13-11-14-18-45)53-34-36-56-60(40-58(46-19-15-12-16-20-46)54-33-35-55(59)61(53)62(54)56)64(50-24-22-42(2)44(4)38-50)48-27-31-52(32-28-48)66(8,9)10/h11-40H,1-10H3.
What are the key properties of 1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 889.35 g/mol, XLogP of 17.18, 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(3,4-dimethylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 58383819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).