2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine

C121H81N5O — CID 157458923

IUPAC2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)n3)cc2)cc1
InChIInChI=1S/C44H30N2.C41H27NO.C36H24N2/c1-3-12-31(13-4-1)32-24-26-35(27-25-32)43-30-42(34-15-5-2-6-16-34)45-44(46-43)39-21-10-19-37(29-39)36-18-9-20-38(28-36)41-23-11-17-33-14-7-8-22-40(33)41;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33;1-3-12-25(13-4-1)34-24-35(38-36(37-34)26-14-5-2-6-15-26)29-18-11-17-27(22-29)33-23-28-16-7-8-19-30(28)31-20-9-10-21-32(31)33/h1-30H;1-27H;1-24H
InChIKeyBTRPZQQRPCFEQE-UHFFFAOYSA-N
MW1621.01 g/mol
LogP32.40
Rot. Bonds15

About 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine

2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine (PubChem CID 157458923) has the molecular formula C121H81N5O and a molecular weight of 1621.01 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
PubChem CID157458923
Molecular FormulaC121H81N5O
Molecular Weight1621.01 g/mol
Exact Mass1619.64
IUPAC Name2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)n3)cc2)cc1
InChIInChI=1S/C44H30N2.C41H27NO.C36H24N2/c1-3-12-31(13-4-1)32-24-26-35(27-25-32)43-30-42(34-15-5-2-6-16-34)45-44(46-43)39-21-10-19-37(29-39)36-18-9-20-38(28-36)41-23-11-17-33-14-7-8-22-40(33)41;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33;1-3-12-25(13-4-1)34-24-35(38-36(37-34)26-14-5-2-6-15-26)29-18-11-17-27(22-29)33-23-28-16-7-8-19-30(28)31-20-9-10-21-32(31)33/h1-30H;1-27H;1-24H
InChIKeyBTRPZQQRPCFEQE-UHFFFAOYSA-N
XLogP32.40
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001621.01
LogP ≤ 532.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine with MolForge

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Related Compounds

4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
4-[3-dibenzofuran-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-dibenzofuran-3-yl-6-[3-phenanthren-9-yl-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 154949903
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613821
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine (CID 157458923) is 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine?
The InChIKey is BTRPZQQRPCFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2.C41H27NO.C36H24N2/c1-3-12-31(13-4-1)32-24-26-35(27-25-32)43-30-42(34-15-5-2-6-16-34)45-44(46-43)39-21-10-19-37(29-39)36-18-9-20-38(28-36)41-23-11-17-33-14-7-8-22-40(33)41;1-3-11-28(12-4-1)35-25-38(29-13-5-2-6-14-29)42-39(26-35)34-18-10-17-32(24-34)30-15-9-16-31(23-30)33-21-22-37-36-19-7-8-20-40(36)43-41(37)27-33;1-3-12-25(13-4-1)34-24-35(38-36(37-34)26-14-5-2-6-15-26)29-18-11-17-27(22-29)33-23-28-16-7-8-19-30(28)31-20-9-10-21-32(31)33/h1-30H;1-27H;1-24H.
What are the key properties of 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine?
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine has a molecular weight of 1621.01 g/mol, XLogP of 32.40, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 157458923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).