2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine

C48H32N2 — CID 90361810

IUPAC2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ncc(-c6ccccc6)cn5)ccc34)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-20-24-38(25-21-36)46-42-18-10-11-19-43(42)47(39-26-22-37(23-27-39)34-14-6-2-7-15-34)45-30-40(28-29-44(45)46)48-49-31-41(32-50-48)35-16-8-3-9-17-35/h1-32H
InChIKeyRYGCXFCRDCKOGN-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.78
Rot. Bonds6

About 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine

2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine (PubChem CID 90361810) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine.

Molecular Properties

Compound Name2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
PubChem CID90361810
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ncc(-c6ccccc6)cn5)ccc34)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-20-24-38(25-21-36)46-42-18-10-11-19-43(42)47(39-26-22-37(23-27-39)34-14-6-2-7-15-34)45-30-40(28-29-44(45)46)48-49-31-41(32-50-48)35-16-8-3-9-17-35/h1-32H
InChIKeyRYGCXFCRDCKOGN-UHFFFAOYSA-N
XLogP12.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine 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

5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
CID 90361753
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-[9,10-dinaphthalen-2-yl-7-(5-phenylpyrimidin-2-yl)anthracen-2-yl]-6-methylpyrimidine
CID 126514191
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
CID 142353445
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine?
The IUPAC name of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine (CID 90361810) is 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine.
What is the SMILES notation for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine?
The canonical SMILES for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ncc(-c6ccccc6)cn5)ccc34)cc2)cc1.
What is the InChIKey of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine?
The InChIKey is RYGCXFCRDCKOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-12-33(13-5-1)36-20-24-38(25-21-36)46-42-18-10-11-19-43(42)47(39-26-22-37(23-27-39)34-14-6-2-7-15-34)45-30-40(28-29-44(45)46)48-49-31-41(32-50-48)35-16-8-3-9-17-35/h1-32H.
What are the key properties of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine?
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine has a molecular weight of 636.80 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine is sourced from PubChem (CID 90361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).