4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine

C70H44N4 — CID 122447956

IUPAC4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
SMILESc1ccc2cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)n8)cc7)cccc56)cc4)n3)ccc2c1
InChIInChI=1S/C70H44N4/c1-3-17-53-41-55(39-29-45(53)13-1)65-43-67(63-27-9-19-47-15-5-7-21-59(47)63)73-69(71-65)51-35-31-49(32-36-51)57-23-11-26-62-58(24-12-25-61(57)62)50-33-37-52(38-34-50)70-72-66(56-40-30-46-14-2-4-18-54(46)42-56)44-68(74-70)64-28-10-20-48-16-6-8-22-60(48)64/h1-44H
InChIKeyVBDGWLFRUJRCKQ-UHFFFAOYSA-N
MW941.15 g/mol
LogP18.37
Rot. Bonds8

About 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine

4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine (PubChem CID 122447956) has the molecular formula C70H44N4 and a molecular weight of 941.15 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
PubChem CID122447956
Molecular FormulaC70H44N4
Molecular Weight941.15 g/mol
Exact Mass940.36
IUPAC Name4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
SMILESc1ccc2cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)n8)cc7)cccc56)cc4)n3)ccc2c1
InChIInChI=1S/C70H44N4/c1-3-17-53-41-55(39-29-45(53)13-1)65-43-67(63-27-9-19-47-15-5-7-21-59(47)63)73-69(71-65)51-35-31-49(32-36-51)57-23-11-26-62-58(24-12-25-61(57)62)50-33-37-52(38-34-50)70-72-66(56-40-30-46-14-2-4-18-54(46)42-56)44-68(74-70)64-28-10-20-48-16-6-8-22-60(48)64/h1-44H
InChIKeyVBDGWLFRUJRCKQ-UHFFFAOYSA-N
XLogP18.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.15
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine 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

4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820
2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 118148910
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine (CID 122447956) is 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine is c1ccc2cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccc%10ccccc%10c9)cc(-c9cccc%10ccccc9%10)n8)cc7)cccc56)cc4)n3)ccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine?
The InChIKey is VBDGWLFRUJRCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4/c1-3-17-53-41-55(39-29-45(53)13-1)65-43-67(63-27-9-19-47-15-5-7-21-59(47)63)73-69(71-65)51-35-31-49(32-36-51)57-23-11-26-62-58(24-12-25-61(57)62)50-33-37-52(38-34-50)70-72-66(56-40-30-46-14-2-4-18-54(46)42-56)44-68(74-70)64-28-10-20-48-16-6-8-22-60(48)64/h1-44H.
What are the key properties of 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine?
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine has a molecular weight of 941.15 g/mol, XLogP of 18.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine is sourced from PubChem (CID 122447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).