2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane

C44H37N3 — CID 144734499

IUPAC2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane
SMILESCC.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3c4c(cc5ccccc35)CCC=C4)c2)n1
InChIInChI=1S/C42H31N3.C2H6/c1-28-13-12-22-38(43-28)33-24-34(41-36-20-10-8-18-31(36)23-32-19-9-11-21-37(32)41)26-35(25-33)42-44-39(29-14-4-2-5-15-29)27-40(45-42)30-16-6-3-7-17-30;1-2/h2-8,10-18,20-27H,9,19H2,1H3;1-2H3
InChIKeyGUSILNFZLMXCLX-UHFFFAOYSA-N
MW607.80 g/mol
LogP11.65
Rot. Bonds5

About 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane

2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane (PubChem CID 144734499) has the molecular formula C44H37N3 and a molecular weight of 607.80 g/mol. Its IUPAC name is 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane.

Molecular Properties

Compound Name2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane
PubChem CID144734499
Molecular FormulaC44H37N3
Molecular Weight607.80 g/mol
Exact Mass607.30
IUPAC Name2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane
SMILESCC.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3c4c(cc5ccccc35)CCC=C4)c2)n1
InChIInChI=1S/C42H31N3.C2H6/c1-28-13-12-22-38(43-28)33-24-34(41-36-20-10-8-18-31(36)23-32-19-9-11-21-37(32)41)26-35(25-33)42-44-39(29-14-4-2-5-15-29)27-40(45-42)30-16-6-3-7-17-30;1-2/h2-8,10-18,20-27H,9,19H2,1H3;1-2H3
InChIKeyGUSILNFZLMXCLX-UHFFFAOYSA-N
XLogP11.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane with MolForge

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Related Compounds

7-methyl-10-phenyl-1,2-dihydroanthracene
CID 142428670
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668
ethane;2-[3-[9-methyl-10-[(Z)-prop-1-enyl]-7,8-dihydrophenanthren-3-yl]phenyl]-4,6-diphenylpyrimidine
CID 145193778
butane;2-[3-(5,6-dihydronaphthalen-2-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734508
ethane;21-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]cyclohexa-1,3-dien-5-yn-1-yl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,7,11,13,15,17,19,21-nonaene
CID 144984911
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenanthren-9-ylphenyl)phenyl]phenyl]-7,8-dihydroquinoline;sulfane
CID 144989649
2-anthracen-9-yl-6-methylpyridine
CID 144659337
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734393
7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591761
CID 144989571
CID 144989571
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane?
The IUPAC name of 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane (CID 144734499) is 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane.
What is the SMILES notation for 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane?
The canonical SMILES for 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane is CC.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3c4c(cc5ccccc35)CCC=C4)c2)n1.
What is the InChIKey of 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane?
The InChIKey is GUSILNFZLMXCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3.C2H6/c1-28-13-12-22-38(43-28)33-24-34(41-36-20-10-8-18-31(36)23-32-19-9-11-21-37(32)41)26-35(25-33)42-44-39(29-14-4-2-5-15-29)27-40(45-42)30-16-6-3-7-17-30;1-2/h2-8,10-18,20-27H,9,19H2,1H3;1-2H3.
What are the key properties of 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane?
2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane has a molecular weight of 607.80 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydroanthracen-9-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4,6-diphenylpyrimidine;ethane is sourced from PubChem (CID 144734499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).