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

C143H89N9 — CID 158472382

IUPAC4,6-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)nccc2c1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ncc2c1
InChIInChI=1S/C53H33N3.C47H29N3.C43H27N3/c1-2-14-41-33-54-50(31-38(41)11-1)35-25-27-37(28-26-35)53-55-51(32-52(56-53)49-30-40-13-4-6-16-43(40)45-18-8-10-20-47(45)49)36-23-21-34(22-24-36)48-29-39-12-3-5-15-42(39)44-17-7-9-19-46(44)48;1-6-16-37-30(11-1)25-26-48-46(37)31-21-23-32(24-22-31)47-49-44(42-27-33-12-2-4-14-35(33)38-17-7-9-19-40(38)42)29-45(50-47)43-28-34-13-3-5-15-36(34)39-18-8-10-20-41(39)43;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h1-33H;1-29H;1-27H
InChIKeyHGMWRNOKMLKYNA-UHFFFAOYSA-N
MW1933.35 g/mol
LogP37.43
Rot. Bonds13

About 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

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 (PubChem CID 158472382) has the molecular formula C143H89N9 and a molecular weight of 1933.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,6-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
PubChem CID158472382
Molecular FormulaC143H89N9
Molecular Weight1933.35 g/mol
Exact Mass1931.72
IUPAC Name4,6-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)nccc2c1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ncc2c1
InChIInChI=1S/C53H33N3.C47H29N3.C43H27N3/c1-2-14-41-33-54-50(31-38(41)11-1)35-25-27-37(28-26-35)53-55-51(32-52(56-53)49-30-40-13-4-6-16-43(40)45-18-8-10-20-47(45)49)36-23-21-34(22-24-36)48-29-39-12-3-5-15-42(39)44-17-7-9-19-46(44)48;1-6-16-37-30(11-1)25-26-48-46(37)31-21-23-32(24-22-31)47-49-44(42-27-33-12-2-4-14-35(33)38-17-7-9-19-40(38)42)29-45(50-47)43-28-34-13-3-5-15-36(34)39-18-8-10-20-41(39)43;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h1-33H;1-29H;1-27H
InChIKeyHGMWRNOKMLKYNA-UHFFFAOYSA-N
XLogP37.43
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001933.35
LogP ≤ 537.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 90261775
1-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 58462281
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
3-[4-[4-phenanthren-9-yl-6-[4-[2-(2-phenylphenyl)ethenyl]phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 123887926
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 158353783
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
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
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
1-[5-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]isoquinoline
CID 118372265

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)nccc2c1.c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ncc2c1.
What is the InChIKey of 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?
The InChIKey is HGMWRNOKMLKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3.C47H29N3.C43H27N3/c1-2-14-41-33-54-50(31-38(41)11-1)35-25-27-37(28-26-35)53-55-51(32-52(56-53)49-30-40-13-4-6-16-43(40)45-18-8-10-20-47(45)49)36-23-21-34(22-24-36)48-29-39-12-3-5-15-42(39)44-17-7-9-19-46(44)48;1-6-16-37-30(11-1)25-26-48-46(37)31-21-23-32(24-22-31)47-49-44(42-27-33-12-2-4-14-35(33)38-17-7-9-19-40(38)42)29-45(50-47)43-28-34-13-3-5-15-36(34)39-18-8-10-20-41(39)43;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h1-33H;1-29H;1-27H.
What are the key properties of 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?
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 has a molecular weight of 1933.35 g/mol, XLogP of 37.43, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158472382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).