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

C141H93N9 — CID 161484198

IUPAC2-(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
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)cc2)c1.c1cncc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)n3)cc2)c1
InChIInChI=1S/C51H33N3.C47H31N3.C43H29N3/c1-2-11-37-28-39(26-23-34(37)10-1)38-13-7-15-42(29-38)50-32-49(36-24-21-35(22-25-36)44-17-9-27-52-33-44)53-51(54-50)43-16-8-14-40(30-43)48-31-41-12-3-4-18-45(41)46-19-5-6-20-47(46)48;1-2-10-38-28-40(26-19-32(38)8-1)39-12-5-13-41(29-39)47-49-45(36-22-17-33(18-23-36)42-14-7-27-48-31-42)30-46(50-47)37-24-20-35(21-25-37)44-16-6-11-34-9-3-4-15-43(34)44;1-2-9-30(10-3-1)35-13-7-16-39(27-35)43-45-41(33-21-18-32(19-22-33)40-17-8-24-44-29-40)28-42(46-43)38-15-6-14-36(26-38)37-23-20-31-11-4-5-12-34(31)25-37/h1-33H;1-31H;1-29H
InChIKeyWETLSNXTDPHOAF-UHFFFAOYSA-N
MW1913.36 g/mol
LogP36.54
Rot. Bonds18

About 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

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 (PubChem CID 161484198) has the molecular formula C141H93N9 and a molecular weight of 1913.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161484198
Molecular FormulaC141H93N9
Molecular Weight1913.36 g/mol
Exact Mass1911.76
IUPAC Name2-(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
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)cc2)c1.c1cncc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)n3)cc2)c1
InChIInChI=1S/C51H33N3.C47H31N3.C43H29N3/c1-2-11-37-28-39(26-23-34(37)10-1)38-13-7-15-42(29-38)50-32-49(36-24-21-35(22-25-36)44-17-9-27-52-33-44)53-51(54-50)43-16-8-14-40(30-43)48-31-41-12-3-4-18-45(41)46-19-5-6-20-47(46)48;1-2-10-38-28-40(26-19-32(38)8-1)39-12-5-13-41(29-39)47-49-45(36-22-17-33(18-23-36)42-14-7-27-48-31-42)30-46(50-47)37-24-20-35(21-25-37)44-16-6-11-34-9-3-4-15-43(34)44;1-2-9-30(10-3-1)35-13-7-16-39(27-35)43-45-41(33-21-18-32(19-22-33)40-17-8-24-44-29-40)28-42(46-43)38-15-6-14-36(26-38)37-23-20-31-11-4-5-12-34(31)25-37/h1-33H;1-31H;1-29H
InChIKeyWETLSNXTDPHOAF-UHFFFAOYSA-N
XLogP36.54
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001913.36
LogP ≤ 536.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
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
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-[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
2-naphthalen-2-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 158842275
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-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700
4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 121477553
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-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)cc2)c1.c1cncc(-c2ccc(-c3cc(-c4cccc(-c5ccc6ccccc6c5)c4)nc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)n3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is WETLSNXTDPHOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3.C47H31N3.C43H29N3/c1-2-11-37-28-39(26-23-34(37)10-1)38-13-7-15-42(29-38)50-32-49(36-24-21-35(22-25-36)44-17-9-27-52-33-44)53-51(54-50)43-16-8-14-40(30-43)48-31-41-12-3-4-18-45(41)46-19-5-6-20-47(46)48;1-2-10-38-28-40(26-19-32(38)8-1)39-12-5-13-41(29-39)47-49-45(36-22-17-33(18-23-36)42-14-7-27-48-31-42)30-46(50-47)37-24-20-35(21-25-37)44-16-6-11-34-9-3-4-15-43(34)44;1-2-9-30(10-3-1)35-13-7-16-39(27-35)43-45-41(33-21-18-32(19-22-33)40-17-8-24-44-29-40)28-42(46-43)38-15-6-14-36(26-38)37-23-20-31-11-4-5-12-34(31)25-37/h1-33H;1-31H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 1913.36 g/mol, XLogP of 36.54, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161484198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).