3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine

C76H46N10O4 — CID 20710071

IUPAC3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccc5c6cccc7c(N(c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)ccc(c8cccc4c85)c76)cc3)o2)cc1
InChIInChI=1S/C76H46N10O4/c1-5-15-47(16-6-1)69-77-81-73(87-69)51-27-35-55(36-28-51)85(56-37-29-52(30-38-56)74-82-78-70(88-74)48-17-7-2-8-18-48)65-45-43-61-60-24-14-26-64-66(46-44-62(68(60)64)59-23-13-25-63(65)67(59)61)86(57-39-31-53(32-40-57)75-83-79-71(89-75)49-19-9-3-10-20-49)58-41-33-54(34-42-58)76-84-80-72(90-76)50-21-11-4-12-22-50/h1-46H
InChIKeyKUTKRISCIRYRKA-UHFFFAOYSA-N
MW1163.27 g/mol
LogP19.54
Rot. Bonds14

About 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine

3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine (PubChem CID 20710071) has the molecular formula C76H46N10O4 and a molecular weight of 1163.27 g/mol. Its IUPAC name is 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine.

Molecular Properties

Compound Name3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine
PubChem CID20710071
Molecular FormulaC76H46N10O4
Molecular Weight1163.27 g/mol
Exact Mass1162.37
IUPAC Name3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccc5c6cccc7c(N(c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)ccc(c8cccc4c85)c76)cc3)o2)cc1
InChIInChI=1S/C76H46N10O4/c1-5-15-47(16-6-1)69-77-81-73(87-69)51-27-35-55(36-28-51)85(56-37-29-52(30-38-56)74-82-78-70(88-74)48-17-7-2-8-18-48)65-45-43-61-60-24-14-26-64-66(46-44-62(68(60)64)59-23-13-25-63(65)67(59)61)86(57-39-31-53(32-40-57)75-83-79-71(89-75)49-19-9-3-10-20-49)58-41-33-54(34-42-58)76-84-80-72(90-76)50-21-11-4-12-22-50/h1-46H
InChIKeyKUTKRISCIRYRKA-UHFFFAOYSA-N
XLogP19.54
TPSA162.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001163.27
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine?
The IUPAC name of 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine (CID 20710071) is 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine.
What is the SMILES notation for 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine?
The canonical SMILES for 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine is c1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccccc6)o5)cc4)c4ccc5c6cccc7c(N(c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)c8ccc(-c9nnc(-c%10ccccc%10)o9)cc8)ccc(c8cccc4c85)c76)cc3)o2)cc1.
What is the InChIKey of 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine?
The InChIKey is KUTKRISCIRYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N10O4/c1-5-15-47(16-6-1)69-77-81-73(87-69)51-27-35-55(36-28-51)85(56-37-29-52(30-38-56)74-82-78-70(88-74)48-17-7-2-8-18-48)65-45-43-61-60-24-14-26-64-66(46-44-62(68(60)64)59-23-13-25-63(65)67(59)61)86(57-39-31-53(32-40-57)75-83-79-71(89-75)49-19-9-3-10-20-49)58-41-33-54(34-42-58)76-84-80-72(90-76)50-21-11-4-12-22-50/h1-46H.
What are the key properties of 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine?
3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine has a molecular weight of 1163.27 g/mol, XLogP of 19.54, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,9-N,9-N-tetrakis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]perylene-3,9-diamine is sourced from PubChem (CID 20710071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).