4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine

C122H78N10 — CID 158962834

IUPAC4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4c(-c5nc(-c6ccccc6)cc(-c6ccc7c(ccc8ccccc87)c6)n5)cccc34)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5cccc6c(-c7nc(-c8ccncc8)cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)n7)cccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C64H42N6.C58H36N4/c1-3-9-43(10-4-1)45-17-21-47(22-18-45)49-25-29-51(30-26-49)59-41-61(53-33-37-65-38-34-53)69-63(67-59)57-15-7-14-56-55(57)13-8-16-58(56)64-68-60(42-62(70-64)54-35-39-66-40-36-54)52-31-27-50(28-32-52)48-23-19-46(20-24-48)44-11-5-2-6-12-44;1-3-15-39(16-4-1)53-35-55(43-29-31-47-41(33-43)27-25-37-13-7-9-19-45(37)47)61-57(59-53)51-23-11-22-50-49(51)21-12-24-52(50)58-60-54(40-17-5-2-6-18-40)36-56(62-58)44-30-32-48-42(34-44)28-26-38-14-8-10-20-46(38)48/h1-42H;1-36H
InChIKeyJMVJEQJEJHOUTG-UHFFFAOYSA-N
MW1684.04 g/mol
LogP30.91
Rot. Bonds16

About 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine

4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine (PubChem CID 158962834) has the molecular formula C122H78N10 and a molecular weight of 1684.04 g/mol. Its IUPAC name is 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
PubChem CID158962834
Molecular FormulaC122H78N10
Molecular Weight1684.04 g/mol
Exact Mass1682.64
IUPAC Name4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4c(-c5nc(-c6ccccc6)cc(-c6ccc7c(ccc8ccccc87)c6)n5)cccc34)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5cccc6c(-c7nc(-c8ccncc8)cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)n7)cccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C64H42N6.C58H36N4/c1-3-9-43(10-4-1)45-17-21-47(22-18-45)49-25-29-51(30-26-49)59-41-61(53-33-37-65-38-34-53)69-63(67-59)57-15-7-14-56-55(57)13-8-16-58(56)64-68-60(42-62(70-64)54-35-39-66-40-36-54)52-31-27-50(28-32-52)48-23-19-46(20-24-48)44-11-5-2-6-12-44;1-3-15-39(16-4-1)53-35-55(43-29-31-47-41(33-43)27-25-37-13-7-9-19-45(37)47)61-57(59-53)51-23-11-22-50-49(51)21-12-24-52(50)58-60-54(40-17-5-2-6-18-40)36-56(62-58)44-30-32-48-42(34-44)28-26-38-14-8-10-20-46(38)48/h1-42H;1-36H
InChIKeyJMVJEQJEJHOUTG-UHFFFAOYSA-N
XLogP30.91
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001684.04
LogP ≤ 530.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine with MolForge

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Related Compounds

4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2-(10,10-dimethyl-18-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 153288180
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 118314002
2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314030
1-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130264041

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine?
The IUPAC name of 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine (CID 158962834) is 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4c(-c5nc(-c6ccccc6)cc(-c6ccc7c(ccc8ccccc87)c6)n5)cccc34)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccncc5)nc(-c5cccc6c(-c7nc(-c8ccncc8)cc(-c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)n7)cccc56)n4)cc3)cc2)cc1.
What is the InChIKey of 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine?
The InChIKey is JMVJEQJEJHOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6.C58H36N4/c1-3-9-43(10-4-1)45-17-21-47(22-18-45)49-25-29-51(30-26-49)59-41-61(53-33-37-65-38-34-53)69-63(67-59)57-15-7-14-56-55(57)13-8-16-58(56)64-68-60(42-62(70-64)54-35-39-66-40-36-54)52-31-27-50(28-32-52)48-23-19-46(20-24-48)44-11-5-2-6-12-44;1-3-15-39(16-4-1)53-35-55(43-29-31-47-41(33-43)27-25-37-13-7-9-19-45(37)47)61-57(59-53)51-23-11-22-50-49(51)21-12-24-52(50)58-60-54(40-17-5-2-6-18-40)36-56(62-58)44-30-32-48-42(34-44)28-26-38-14-8-10-20-46(38)48/h1-42H;1-36H.
What are the key properties of 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine?
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine has a molecular weight of 1684.04 g/mol, XLogP of 30.91, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 158962834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).