2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline

C55H35N5 — CID 168797123

IUPAC2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4)cc3)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C55H35N5/c1-2-14-40(15-3-1)50-34-51(58-55(57-50)49-33-32-41-16-6-9-23-48(41)56-49)42-28-24-36(25-29-42)37-26-30-43(31-27-37)54-59-52(46-21-10-17-38-12-4-7-19-44(38)46)35-53(60-54)47-22-11-18-39-13-5-8-20-45(39)47/h1-35H
InChIKeyILVMCAQXXKGYSG-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.79
Rot. Bonds7

About 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline

2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline (PubChem CID 168797123) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
PubChem CID168797123
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4)cc3)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C55H35N5/c1-2-14-40(15-3-1)50-34-51(58-55(57-50)49-33-32-41-16-6-9-23-48(41)56-49)42-28-24-36(25-29-42)37-26-30-43(31-27-37)54-59-52(46-21-10-17-38-12-4-7-19-44(38)46)35-53(60-54)47-22-11-18-39-13-5-8-20-45(39)47/h1-35H
InChIKeyILVMCAQXXKGYSG-UHFFFAOYSA-N
XLogP13.79
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
2-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000157
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 167413057
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline?
The IUPAC name of 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline (CID 168797123) is 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline.
What is the SMILES notation for 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline?
The canonical SMILES for 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4)cc3)nc(-c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline?
The InChIKey is ILVMCAQXXKGYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-2-14-40(15-3-1)50-34-51(58-55(57-50)49-33-32-41-16-6-9-23-48(41)56-49)42-28-24-36(25-29-42)37-26-30-43(31-27-37)54-59-52(46-21-10-17-38-12-4-7-19-44(38)46)35-53(60-54)47-22-11-18-39-13-5-8-20-45(39)47/h1-35H.
What are the key properties of 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline?
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline has a molecular weight of 765.92 g/mol, XLogP of 13.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline is sourced from PubChem (CID 168797123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).