2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine

C42H31N3 — CID 155089035

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ncc(-c5cccnc5)c(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C42H31N3/c1-42(2)38-18-10-9-17-35(38)36-20-19-30(25-39(36)42)33-22-32(28-12-5-3-6-13-28)23-34(24-33)41-44-27-37(31-16-11-21-43-26-31)40(45-41)29-14-7-4-8-15-29/h3-27H,1-2H3
InChIKeyPYNAMLJACZBDLF-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.51
Rot. Bonds5

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine

2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine (PubChem CID 155089035) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine
PubChem CID155089035
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ncc(-c5cccnc5)c(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C42H31N3/c1-42(2)38-18-10-9-17-35(38)36-20-19-30(25-39(36)42)33-22-32(28-12-5-3-6-13-28)23-34(24-33)41-44-27-37(31-16-11-21-43-26-31)40(45-41)29-14-7-4-8-15-29/h3-27H,1-2H3
InChIKeyPYNAMLJACZBDLF-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
7-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(3-pyridin-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline
CID 169294598
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167177003
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine (CID 155089035) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(-c4ncc(-c5cccnc5)c(-c5ccccc5)n4)c3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine?
The InChIKey is PYNAMLJACZBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(2)38-18-10-9-17-35(38)36-20-19-30(25-39(36)42)33-22-32(28-12-5-3-6-13-28)23-34(24-33)41-44-27-37(31-16-11-21-43-26-31)40(45-41)29-14-7-4-8-15-29/h3-27H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine?
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine has a molecular weight of 577.73 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine is sourced from PubChem (CID 155089035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).