4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline

C188H117N13 — CID 160785074

IUPAC4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
SMILESCc1ccncc1-c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3cccc4c(-c5cccnc5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncc5ccccc45)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1
InChIInChI=1S/C50H30N4.2C47H29N3.C44H29N3/c1-2-6-40(7-3-1)50-53-44(33-13-11-31(12-14-33)41-26-23-37-20-19-35-8-4-9-36-24-27-42(41)47(37)46(35)36)30-45(54-50)34-17-15-32(16-18-34)43-28-25-39-22-21-38-10-5-29-51-48(38)49(39)52-43;1-2-8-35(9-3-1)47-49-43(28-44(50-47)41-16-6-14-39-37(13-5-15-40(39)41)36-12-7-27-48-29-36)31-19-17-30(18-20-31)38-25-23-34-22-21-32-10-4-11-33-24-26-42(38)46(34)45(32)33;1-2-7-37(8-3-1)47-49-43(27-44(50-47)33-19-15-31(16-20-33)42-29-48-28-38-9-4-5-12-39(38)42)32-17-13-30(14-18-32)40-25-23-36-22-21-34-10-6-11-35-24-26-41(40)46(36)45(34)35;1-28-24-25-45-27-39(28)30-12-16-32(17-13-30)41-26-40(46-44(47-41)36-6-3-2-4-7-36)31-14-10-29(11-15-31)37-22-20-35-19-18-33-8-5-9-34-21-23-38(37)43(35)42(33)34/h1-30H;2*1-29H;2-27H,1H3
InChIKeySBCDWLWTPOKYLQ-UHFFFAOYSA-N
MW2558.09 g/mol
LogP48.73
Rot. Bonds20

About 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline

4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline (PubChem CID 160785074) has the molecular formula C188H117N13 and a molecular weight of 2558.09 g/mol. Its IUPAC name is 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
PubChem CID160785074
Molecular FormulaC188H117N13
Molecular Weight2558.09 g/mol
Exact Mass2555.96
IUPAC Name4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
SMILESCc1ccncc1-c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3cccc4c(-c5cccnc5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncc5ccccc45)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1
InChIInChI=1S/C50H30N4.2C47H29N3.C44H29N3/c1-2-6-40(7-3-1)50-53-44(33-13-11-31(12-14-33)41-26-23-37-20-19-35-8-4-9-36-24-27-42(41)47(37)46(35)36)30-45(54-50)34-17-15-32(16-18-34)43-28-25-39-22-21-38-10-5-29-51-48(38)49(39)52-43;1-2-8-35(9-3-1)47-49-43(28-44(50-47)41-16-6-14-39-37(13-5-15-40(39)41)36-12-7-27-48-29-36)31-19-17-30(18-20-31)38-25-23-34-22-21-32-10-4-11-33-24-26-42(38)46(34)45(32)33;1-2-7-37(8-3-1)47-49-43(27-44(50-47)33-19-15-31(16-20-33)42-29-48-28-38-9-4-5-12-39(38)42)32-17-13-30(14-18-32)40-25-23-36-22-21-34-10-6-11-35-24-26-41(40)46(36)45(34)35;1-28-24-25-45-27-39(28)30-12-16-32(17-13-30)41-26-40(46-44(47-41)36-6-3-2-4-7-36)31-14-10-29(11-15-31)37-22-20-35-19-18-33-8-5-9-34-21-23-38(37)43(35)42(33)34/h1-30H;2*1-29H;2-27H,1H3
InChIKeySBCDWLWTPOKYLQ-UHFFFAOYSA-N
XLogP48.73
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002558.09
LogP ≤ 548.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

4-[4-(2-phenyl-6-pyren-1-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 130264340
4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(3-methyl-4-pyridin-3-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenylpyrimidine;2-[4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 160670923
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
5-[2-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylnaphthalen-1-yl)pyrimidin-4-yl]-1,10-phenanthroline
CID 162774161
4-phenyl-2-[3-(6-phenylpyren-1-yl)phenyl]-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 118313945
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-[4-(4-benzo[a]anthracen-4-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(4-pyren-1-ylphenyl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 158111022
2-(4-naphthalen-1-ylphenyl)-4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264883

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline (CID 160785074) is 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline is Cc1ccncc1-c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)cc(-c3cccc4c(-c5cccnc5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncc5ccccc45)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?
The InChIKey is SBCDWLWTPOKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.2C47H29N3.C44H29N3/c1-2-6-40(7-3-1)50-53-44(33-13-11-31(12-14-33)41-26-23-37-20-19-35-8-4-9-36-24-27-42(41)47(37)46(35)36)30-45(54-50)34-17-15-32(16-18-34)43-28-25-39-22-21-38-10-5-29-51-48(38)49(39)52-43;1-2-8-35(9-3-1)47-49-43(28-44(50-47)41-16-6-14-39-37(13-5-15-40(39)41)36-12-7-27-48-29-36)31-19-17-30(18-20-31)38-25-23-34-22-21-32-10-4-11-33-24-26-42(38)46(34)45(32)33;1-2-7-37(8-3-1)47-49-43(27-44(50-47)33-19-15-31(16-20-33)42-29-48-28-38-9-4-5-12-39(38)42)32-17-13-30(14-18-32)40-25-23-36-22-21-34-10-6-11-35-24-26-41(40)46(36)45(34)35;1-28-24-25-45-27-39(28)30-12-16-32(17-13-30)41-26-40(46-44(47-41)36-6-3-2-4-7-36)31-14-10-29(11-15-31)37-22-20-35-19-18-33-8-5-9-34-21-23-38(37)43(35)42(33)34/h1-30H;2*1-29H;2-27H,1H3.
What are the key properties of 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?
4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline has a molecular weight of 2558.09 g/mol, XLogP of 48.73, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 160785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).