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

C70H60N2Si2 — CID 58383859

IUPAC3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](C)(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1
InChIInChI=1S/C70H60N2Si2/c1-73(2,3)59-39-35-57(36-40-59)71(55-31-27-51(28-32-55)49-19-11-7-12-20-49)67-47-65(53-23-15-9-16-24-53)61-44-46-64-68(48-66(54-25-17-10-18-26-54)62-43-45-63(67)69(61)70(62)64)72(58-37-41-60(42-38-58)74(4,5)6)56-33-29-52(30-34-56)50-21-13-8-14-22-50/h7-48H,1-6H3
InChIKeyIVYXUTGHUYCHSB-UHFFFAOYSA-N
MW985.44 g/mol
LogP19.28
Rot. Bonds12

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

3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 58383859) has the molecular formula C70H60N2Si2 and a molecular weight of 985.44 g/mol. Its IUPAC name is 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
PubChem CID58383859
Molecular FormulaC70H60N2Si2
Molecular Weight985.44 g/mol
Exact Mass984.43
IUPAC Name3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](C)(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1
InChIInChI=1S/C70H60N2Si2/c1-73(2,3)59-39-35-57(36-40-59)71(55-31-27-51(28-32-55)49-19-11-7-12-20-49)67-47-65(53-23-15-9-16-24-53)61-44-46-64-68(48-66(54-25-17-10-18-26-54)62-43-45-63(67)69(61)70(62)64)72(58-37-41-60(42-38-58)74(4,5)6)56-33-29-52(30-34-56)50-21-13-8-14-22-50/h7-48H,1-6H3
InChIKeyIVYXUTGHUYCHSB-UHFFFAOYSA-N
XLogP19.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.44
LogP ≤ 519.28
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

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(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,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
trimethyl-[4-[3,6,8-tris(3,5-diphenylphenyl)pyren-1-yl]phenyl]silane
CID 59391113
6,12-diphenyl-2-N,2-N,8-N,8-N-tetrakis(4-trimethylsilylphenyl)chrysene-2,8-diamine
CID 59718300
N-phenyl-N-(4-trimethylsilylphenyl)-4-[6-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]benzo[e]pyren-3-yl]aniline
CID 123737685
N,N-diphenyl-4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
CID 165073252
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-3,9-bis(trimethylsilyl)chrysen-6-yl]aniline
CID 58879315
4-(2,5-diphenylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-[2-phenyl-5-(4-trimethylsilylphenyl)phenyl]phenyl]aniline
CID 58132006
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 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The IUPAC name of 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 58383859) is 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is C[Si](C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)c3ccc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](C)(C)C)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1.
What is the InChIKey of 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The InChIKey is IVYXUTGHUYCHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H60N2Si2/c1-73(2,3)59-39-35-57(36-40-59)71(55-31-27-51(28-32-55)49-19-11-7-12-20-49)67-47-65(53-23-15-9-16-24-53)61-44-46-64-68(48-66(54-25-17-10-18-26-54)62-43-45-63(67)69(61)70(62)64)72(58-37-41-60(42-38-58)74(4,5)6)56-33-29-52(30-34-56)50-21-13-8-14-22-50/h7-48H,1-6H3.
What are the key properties of 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine?
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 985.44 g/mol, XLogP of 19.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 58383859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).