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

C148H96N12 — CID 162204163

IUPAC1-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/3C39H25N3.C31H21N3/c1-4-14-31-26(9-1)12-7-17-34(31)36-25-37(35-18-8-13-27-10-2-5-15-32(27)35)42-39(41-36)30-21-19-29(20-22-30)38-33-16-6-3-11-28(33)23-24-40-38;1-3-10-31-23-33(19-13-26(31)7-1)36-25-37(34-20-14-27-8-2-4-11-32(27)24-34)42-39(41-36)30-17-15-29(16-18-30)38-35-12-6-5-9-28(35)21-22-40-38;1-2-10-29-23-31(21-16-26(29)9-1)37-25-38(35-24-30-11-3-4-12-32(30)33-13-5-6-14-34(33)35)42-39(41-37)28-19-17-27(18-20-28)36-15-7-8-22-40-36;1-3-10-23(11-4-1)28-21-29(24-12-5-2-6-13-24)34-31(33-28)26-17-15-25(16-18-26)30-27-14-8-7-9-22(27)19-20-32-30/h3*1-25H;1-21H
InChIKeyZRYWROQCDZWCTN-UHFFFAOYSA-N
MW2042.48 g/mol
LogP37.69
Rot. Bonds16

About 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

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 (PubChem CID 162204163) has the molecular formula C148H96N12 and a molecular weight of 2042.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID162204163
Molecular FormulaC148H96N12
Molecular Weight2042.48 g/mol
Exact Mass2040.79
IUPAC Name1-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/3C39H25N3.C31H21N3/c1-4-14-31-26(9-1)12-7-17-34(31)36-25-37(35-18-8-13-27-10-2-5-15-32(27)35)42-39(41-36)30-21-19-29(20-22-30)38-33-16-6-3-11-28(33)23-24-40-38;1-3-10-31-23-33(19-13-26(31)7-1)36-25-37(34-20-14-27-8-2-4-11-32(27)24-34)42-39(41-36)30-17-15-29(16-18-30)38-35-12-6-5-9-28(35)21-22-40-38;1-2-10-29-23-31(21-16-26(29)9-1)37-25-38(35-24-30-11-3-4-12-32(30)33-13-5-6-14-34(33)35)42-39(41-37)28-19-17-27(18-20-28)36-15-7-8-22-40-36;1-3-10-23(11-4-1)28-21-29(24-12-5-2-6-13-24)34-31(33-28)26-17-15-25(16-18-26)30-27-14-8-7-9-22(27)19-20-32-30/h3*1-25H;1-21H
InChIKeyZRYWROQCDZWCTN-UHFFFAOYSA-N
XLogP37.69
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.48
LogP ≤ 537.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 160580217
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 158472382
1-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 58462281
6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 161411337
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
8-[4-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-[2-(4-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 162248127
3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 158905185
8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 160773519
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 163701892
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nccc5ccccc45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5nccc6ccccc56)cc4)n3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ZRYWROQCDZWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C39H25N3.C31H21N3/c1-4-14-31-26(9-1)12-7-17-34(31)36-25-37(35-18-8-13-27-10-2-5-15-32(27)35)42-39(41-36)30-21-19-29(20-22-30)38-33-16-6-3-11-28(33)23-24-40-38;1-3-10-31-23-33(19-13-26(31)7-1)36-25-37(34-20-14-27-8-2-4-11-32(27)24-34)42-39(41-36)30-17-15-29(16-18-30)38-35-12-6-5-9-28(35)21-22-40-38;1-2-10-29-23-31(21-16-26(29)9-1)37-25-38(35-24-30-11-3-4-12-32(30)33-13-5-6-14-34(33)35)42-39(41-37)28-19-17-27(18-20-28)36-15-7-8-22-40-36;1-3-10-23(11-4-1)28-21-29(24-12-5-2-6-13-24)34-31(33-28)26-17-15-25(16-18-26)30-27-14-8-7-9-22(27)19-20-32-30/h3*1-25H;1-21H.
What are the key properties of 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?
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 has a molecular weight of 2042.48 g/mol, XLogP of 37.69, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162204163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).