4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine

C58H38N4 — CID 59721995

IUPAC4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccnc(-c9ccccc9)n8)cc7)ccc6c(-c6ccccc6)c5c4)cc3)n2)cc1
InChIInChI=1S/C58H38N4/c1-5-13-43(14-6-1)55-49-31-29-48(40-23-27-42(28-24-40)54-34-36-60-58(62-54)46-19-11-4-12-20-46)38-52(49)56(44-15-7-2-8-16-44)50-32-30-47(37-51(50)55)39-21-25-41(26-22-39)53-33-35-59-57(61-53)45-17-9-3-10-18-45/h1-38H
InChIKeyIHQNBAWGZPDXNB-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.91
Rot. Bonds8

About 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine

4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine (PubChem CID 59721995) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine
PubChem CID59721995
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccnc(-c9ccccc9)n8)cc7)ccc6c(-c6ccccc6)c5c4)cc3)n2)cc1
InChIInChI=1S/C58H38N4/c1-5-13-43(14-6-1)55-49-31-29-48(40-23-27-42(28-24-40)54-34-36-60-58(62-54)46-19-11-4-12-20-46)38-52(49)56(44-15-7-2-8-16-44)50-32-30-47(37-51(50)55)39-21-25-41(26-22-39)53-33-35-59-57(61-53)45-17-9-3-10-18-45/h1-38H
InChIKeyIHQNBAWGZPDXNB-UHFFFAOYSA-N
XLogP14.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine 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 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine (CID 59721995) is 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine is c1ccc(-c2nccc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccnc(-c9ccccc9)n8)cc7)ccc6c(-c6ccccc6)c5c4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine?
The InChIKey is IHQNBAWGZPDXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-5-13-43(14-6-1)55-49-31-29-48(40-23-27-42(28-24-40)54-34-36-60-58(62-54)46-19-11-4-12-20-46)38-52(49)56(44-15-7-2-8-16-44)50-32-30-47(37-51(50)55)39-21-25-41(26-22-39)53-33-35-59-57(61-53)45-17-9-3-10-18-45/h1-38H.
What are the key properties of 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine?
4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9,10-diphenyl-6-[4-(2-phenylpyrimidin-4-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 59721995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).