1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline

C146H92N12 — CID 161456063

IUPAC1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)nc(-c5ccc(-c6nccc7ccccc67)cc5)n4)cc3)nccc2c1.c1ccc2cc(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/C54H34N4.C48H30N4.C44H28N4/c1-2-14-38(15-3-1)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-34-48(37-22-24-39(25-23-37)52-42-16-6-4-12-35(42)30-32-55-52)57-54(58-49)41-28-26-40(27-29-41)53-43-17-7-5-13-36(43)31-33-56-53;1-7-15-41-31(9-1)25-27-49-46(41)34-19-17-33(18-20-34)43-30-44(45-39-13-5-3-11-37(39)29-38-12-4-6-14-40(38)45)52-48(51-43)36-23-21-35(22-24-36)47-42-16-8-2-10-32(42)26-28-50-47;1-2-10-36-27-37(22-13-29(36)7-1)41-28-40(32-14-16-33(17-15-32)42-38-11-5-3-8-30(38)23-25-45-42)47-44(48-41)35-20-18-34(19-21-35)43-39-12-6-4-9-31(39)24-26-46-43/h1-34H;1-30H;1-28H
InChIKeyWBDZESVGIRUKDK-UHFFFAOYSA-N
MW2014.43 g/mol
LogP37.16
Rot. Bonds16

About 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline

1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline (PubChem CID 161456063) has the molecular formula C146H92N12 and a molecular weight of 2014.43 g/mol. Its IUPAC name is 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline.

Molecular Properties

Compound Name1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
PubChem CID161456063
Molecular FormulaC146H92N12
Molecular Weight2014.43 g/mol
Exact Mass2012.76
IUPAC Name1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)nc(-c5ccc(-c6nccc7ccccc67)cc5)n4)cc3)nccc2c1.c1ccc2cc(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/C54H34N4.C48H30N4.C44H28N4/c1-2-14-38(15-3-1)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-34-48(37-22-24-39(25-23-37)52-42-16-6-4-12-35(42)30-32-55-52)57-54(58-49)41-28-26-40(27-29-41)53-43-17-7-5-13-36(43)31-33-56-53;1-7-15-41-31(9-1)25-27-49-46(41)34-19-17-33(18-20-34)43-30-44(45-39-13-5-3-11-37(39)29-38-12-4-6-14-40(38)45)52-48(51-43)36-23-21-35(22-24-36)47-42-16-8-2-10-32(42)26-28-50-47;1-2-10-36-27-37(22-13-29(36)7-1)41-28-40(32-14-16-33(17-15-32)42-38-11-5-3-8-30(38)23-25-45-42)47-44(48-41)35-20-18-34(19-21-35)43-39-12-6-4-9-31(39)24-26-46-43/h1-34H;1-30H;1-28H
InChIKeyWBDZESVGIRUKDK-UHFFFAOYSA-N
XLogP37.16
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002014.43
LogP ≤ 537.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline with MolForge

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Related Compounds

1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
4-anthracen-9-yl-2-[4-[4-(4-anthracen-9-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylpyrimidine
CID 88557833
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
4-benzo[a]anthracen-7-yl-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167249851
1-[4-[2-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 167136111
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenylbenzo[g]quinoline
CID 139364076
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline?
The IUPAC name of 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline (CID 161456063) is 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline.
What is the SMILES notation for 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline?
The canonical SMILES for 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4cc(-c5c6ccccc6cc6ccccc56)nc(-c5ccc(-c6nccc7ccccc67)cc5)n4)cc3)nccc2c1.c1ccc2cc(-c3cc(-c4ccc(-c5nccc6ccccc56)cc4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1.
What is the InChIKey of 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline?
The InChIKey is WBDZESVGIRUKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4.C48H30N4.C44H28N4/c1-2-14-38(15-3-1)50-44-18-8-10-20-46(44)51(47-21-11-9-19-45(47)50)49-34-48(37-22-24-39(25-23-37)52-42-16-6-4-12-35(42)30-32-55-52)57-54(58-49)41-28-26-40(27-29-41)53-43-17-7-5-13-36(43)31-33-56-53;1-7-15-41-31(9-1)25-27-49-46(41)34-19-17-33(18-20-34)43-30-44(45-39-13-5-3-11-37(39)29-38-12-4-6-14-40(38)45)52-48(51-43)36-23-21-35(22-24-36)47-42-16-8-2-10-32(42)26-28-50-47;1-2-10-36-27-37(22-13-29(36)7-1)41-28-40(32-14-16-33(17-15-32)42-38-11-5-3-8-30(38)23-25-45-42)47-44(48-41)35-20-18-34(19-21-35)43-39-12-6-4-9-31(39)24-26-46-43/h1-34H;1-30H;1-28H.
What are the key properties of 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline?
1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline has a molecular weight of 2014.43 g/mol, XLogP of 37.16, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-anthracen-9-yl-6-(4-isoquinolin-1-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]isoquinoline;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-(10-phenylanthracen-9-yl)pyrimidin-4-yl]phenyl]isoquinoline is sourced from PubChem (CID 161456063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).