4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline

C149H97N9 — CID 159166497

IUPAC4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)nc(-c3cccc(-c4cccc5ccccc45)c3)n2)c1.c1ccc(-c2c3ccccc3c(-c3nc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cncc6ccccc56)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1
InChIInChI=1S/2C51H33N3.C47H31N3/c1-2-12-38-28-40(27-22-34(38)10-1)39-15-7-17-42(29-39)50-31-49(37-25-23-36(24-26-37)48-33-52-32-44-13-4-6-20-47(44)48)53-51(54-50)43-18-8-16-41(30-43)46-21-9-14-35-11-3-5-19-45(35)46;1-2-14-35(15-3-1)49-43-22-6-8-24-45(43)50(46-25-9-7-23-44(46)49)51-53-47(32-48(54-51)41-20-11-18-38(31-41)42-21-12-28-52-33-42)40-19-10-17-37(30-40)39-27-26-34-13-4-5-16-36(34)29-39;1-2-10-32(11-3-1)37-15-9-18-41(28-37)47-49-45(35-23-21-34(22-24-35)44-31-48-30-42-14-6-7-19-43(42)44)29-46(50-47)40-17-8-16-38(27-40)39-25-20-33-12-4-5-13-36(33)26-39/h2*1-33H;1-31H
InChIKeyKLDDMCCLYKFWOI-UHFFFAOYSA-N
MW2013.48 g/mol
LogP38.85
Rot. Bonds18

About 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline

4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline (PubChem CID 159166497) has the molecular formula C149H97N9 and a molecular weight of 2013.48 g/mol. Its IUPAC name is 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline.

Molecular Properties

Compound Name4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
PubChem CID159166497
Molecular FormulaC149H97N9
Molecular Weight2013.48 g/mol
Exact Mass2011.79
IUPAC Name4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)nc(-c3cccc(-c4cccc5ccccc45)c3)n2)c1.c1ccc(-c2c3ccccc3c(-c3nc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cncc6ccccc56)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1
InChIInChI=1S/2C51H33N3.C47H31N3/c1-2-12-38-28-40(27-22-34(38)10-1)39-15-7-17-42(29-39)50-31-49(37-25-23-36(24-26-37)48-33-52-32-44-13-4-6-20-47(44)48)53-51(54-50)43-18-8-16-41(30-43)46-21-9-14-35-11-3-5-19-45(35)46;1-2-14-35(15-3-1)49-43-22-6-8-24-45(43)50(46-25-9-7-23-44(46)49)51-53-47(32-48(54-51)41-20-11-18-38(31-41)42-21-12-28-52-33-42)40-19-10-17-37(30-40)39-27-26-34-13-4-5-16-36(34)29-39;1-2-10-32(11-3-1)37-15-9-18-41(28-37)47-49-45(35-23-21-34(22-24-35)44-31-48-30-42-14-6-7-19-43(42)44)29-46(50-47)40-17-8-16-38(27-40)39-25-20-33-12-4-5-13-36(33)26-39/h2*1-33H;1-31H
InChIKeyKLDDMCCLYKFWOI-UHFFFAOYSA-N
XLogP38.85
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002013.48
LogP ≤ 538.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline with MolForge

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Related Compounds

4-(3-naphthalen-1-ylphenyl)-2-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159815406
2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121477683
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121477566
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 160657803
4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 158377697
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384370
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
4-[4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]isoquinoline
CID 165168443
4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159478984

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline?
The IUPAC name of 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline (CID 159166497) is 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline.
What is the SMILES notation for 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline?
The canonical SMILES for 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline is c1cc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)nc(-c3cccc(-c4cccc5ccccc45)c3)n2)c1.c1ccc(-c2c3ccccc3c(-c3nc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cncc6ccccc56)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.
What is the InChIKey of 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline?
The InChIKey is KLDDMCCLYKFWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N3.C47H31N3/c1-2-12-38-28-40(27-22-34(38)10-1)39-15-7-17-42(29-39)50-31-49(37-25-23-36(24-26-37)48-33-52-32-44-13-4-6-20-47(44)48)53-51(54-50)43-18-8-16-41(30-43)46-21-9-14-35-11-3-5-19-45(35)46;1-2-14-35(15-3-1)49-43-22-6-8-24-45(43)50(46-25-9-7-23-44(46)49)51-53-47(32-48(54-51)41-20-11-18-38(31-41)42-21-12-28-52-33-42)40-19-10-17-37(30-40)39-27-26-34-13-4-5-16-36(34)29-39;1-2-10-32(11-3-1)37-15-9-18-41(28-37)47-49-45(35-23-21-34(22-24-35)44-31-48-30-42-14-6-7-19-43(42)44)29-46(50-47)40-17-8-16-38(27-40)39-25-20-33-12-4-5-13-36(33)26-39/h2*1-33H;1-31H.
What are the key properties of 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline?
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline has a molecular weight of 2013.48 g/mol, XLogP of 38.85, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-(3-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline is sourced from PubChem (CID 159166497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).