1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine

C60H50N8O4 — CID 176876637

IUPAC1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
SMILESCCc1ncoc1N(c1ccccc1)c1cc(N(c2ccccc2)c2ocnc2CC)c2ccc3c(N(c4ccccc4)c4ocnc4CC)cc(N(c4ccccc4)c4ocnc4CC)c4ccc1c2c43
InChIInChI=1S/C60H50N8O4/c1-5-47-57(69-35-61-47)65(39-21-13-9-14-22-39)51-33-52(66(40-23-15-10-16-24-40)58-48(6-2)62-36-70-58)44-31-32-46-54(68(42-27-19-12-20-28-42)60-50(8-4)64-38-72-60)34-53(45-30-29-43(51)55(44)56(45)46)67(41-25-17-11-18-26-41)59-49(7-3)63-37-71-59/h9-38H,5-8H2,1-4H3
InChIKeyGYSNTSRNDXJYRI-UHFFFAOYSA-N
MW947.11 g/mol
LogP16.66
Rot. Bonds16

About 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine

1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine (PubChem CID 176876637) has the molecular formula C60H50N8O4 and a molecular weight of 947.11 g/mol. Its IUPAC name is 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine.

Molecular Properties

Compound Name1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
PubChem CID176876637
Molecular FormulaC60H50N8O4
Molecular Weight947.11 g/mol
Exact Mass946.40
IUPAC Name1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
SMILESCCc1ncoc1N(c1ccccc1)c1cc(N(c2ccccc2)c2ocnc2CC)c2ccc3c(N(c4ccccc4)c4ocnc4CC)cc(N(c4ccccc4)c4ocnc4CC)c4ccc1c2c43
InChIInChI=1S/C60H50N8O4/c1-5-47-57(69-35-61-47)65(39-21-13-9-14-22-39)51-33-52(66(40-23-15-10-16-24-40)58-48(6-2)62-36-70-58)44-31-32-46-54(68(42-27-19-12-20-28-42)60-50(8-4)64-38-72-60)34-53(45-30-29-43(51)55(44)56(45)46)67(41-25-17-11-18-26-41)59-49(7-3)63-37-71-59/h9-38H,5-8H2,1-4H3
InChIKeyGYSNTSRNDXJYRI-UHFFFAOYSA-N
XLogP16.66
TPSA117.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.11
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine 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

1-N,3-N,6-N,8-N-tetrakis(2-ethyl-3-pyridinyl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176881349
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(4-ethyl-1,3-thiazol-5-yl)pyrene-1,3,6,8-tetramine
CID 176876883
1-N,3-N,6-N,8-N-tetrakis(3-ethyl-1-benzothiophen-2-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176876536
3-N-phenyl-1-N,1-N,3-N,6-N,6-N,8-N,8-N-hepta(pyrazin-2-yl)pyrene-1,3,6,8-tetramine
CID 176881463
1-N,3-N,6-N,8-N-tetrakis(5,7-diethylquinazolin-6-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176876604
4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 59309126
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,6-diethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876629
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(4-ethylquinolin-3-yl)pyrene-1,3,6,8-tetramine
CID 176876866
1-N,3-N,6-N,8-N-tetrakis(3-methyl-1,5-naphthyridin-4-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine
CID 176876488
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(4-tert-butylphenyl)pyrene-1,3,6,8-tetramine
CID 167403972
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,4-diethyl-1,8-naphthyridin-3-yl)pyrene-1,3,6,8-tetramine
CID 176876833
3,8-dimethyl-N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516665

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine?
The IUPAC name of 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine (CID 176876637) is 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine.
What is the SMILES notation for 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine?
The canonical SMILES for 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine is CCc1ncoc1N(c1ccccc1)c1cc(N(c2ccccc2)c2ocnc2CC)c2ccc3c(N(c4ccccc4)c4ocnc4CC)cc(N(c4ccccc4)c4ocnc4CC)c4ccc1c2c43.
What is the InChIKey of 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine?
The InChIKey is GYSNTSRNDXJYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N8O4/c1-5-47-57(69-35-61-47)65(39-21-13-9-14-22-39)51-33-52(66(40-23-15-10-16-24-40)58-48(6-2)62-36-70-58)44-31-32-46-54(68(42-27-19-12-20-28-42)60-50(8-4)64-38-72-60)34-53(45-30-29-43(51)55(44)56(45)46)67(41-25-17-11-18-26-41)59-49(7-3)63-37-71-59/h9-38H,5-8H2,1-4H3.
What are the key properties of 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine?
1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine has a molecular weight of 947.11 g/mol, XLogP of 16.66, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,6-N,8-N-tetrakis(4-ethyl-1,3-oxazol-5-yl)-1-N,3-N,6-N,8-N-tetraphenylpyrene-1,3,6,8-tetramine is sourced from PubChem (CID 176876637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).