2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline

C36H28N6 — CID 167607453

IUPAC2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline
SMILESCc1cc(-c2nc(-c3cccc(-c4nc(-c5cc(C)ncc5C)nc5ccccc45)c3)c3ccccc3n2)c(C)cn1
InChIInChI=1S/C36H28N6/c1-21-19-37-23(3)16-29(21)35-39-31-14-7-5-12-27(31)33(41-35)25-10-9-11-26(18-25)34-28-13-6-8-15-32(28)40-36(42-34)30-17-24(4)38-20-22(30)2/h5-20H,1-4H3
InChIKeyQSNJYALBMPGTSI-UHFFFAOYSA-N
MW544.66 g/mol
LogP8.26
Rot. Bonds4

About 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline

2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline (PubChem CID 167607453) has the molecular formula C36H28N6 and a molecular weight of 544.66 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline
PubChem CID167607453
Molecular FormulaC36H28N6
Molecular Weight544.66 g/mol
Exact Mass544.24
IUPAC Name2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline
SMILESCc1cc(-c2nc(-c3cccc(-c4nc(-c5cc(C)ncc5C)nc5ccccc45)c3)c3ccccc3n2)c(C)cn1
InChIInChI=1S/C36H28N6/c1-21-19-37-23(3)16-29(21)35-39-31-14-7-5-12-27(31)33(41-35)25-10-9-11-26(18-25)34-28-13-6-8-15-32(28)40-36(42-34)30-17-24(4)38-20-22(30)2/h5-20H,1-4H3
InChIKeyQSNJYALBMPGTSI-UHFFFAOYSA-N
XLogP8.26
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline with MolForge

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Related Compounds

N-[(2Z)-4-[4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazolin-2-yl]-5-methylhexa-2,4-dien-2-yl]methanimine
CID 167146021
2-[3-(2,5-dimethyl-4-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146586999
2,5-dimethyl-4-phenylpyridine
CID 603086
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
CID 167146078
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline?
The IUPAC name of 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline (CID 167607453) is 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline.
What is the SMILES notation for 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline?
The canonical SMILES for 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline is Cc1cc(-c2nc(-c3cccc(-c4nc(-c5cc(C)ncc5C)nc5ccccc45)c3)c3ccccc3n2)c(C)cn1.
What is the InChIKey of 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline?
The InChIKey is QSNJYALBMPGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6/c1-21-19-37-23(3)16-29(21)35-39-31-14-7-5-12-27(31)33(41-35)25-10-9-11-26(18-25)34-28-13-6-8-15-32(28)40-36(42-34)30-17-24(4)38-20-22(30)2/h5-20H,1-4H3.
What are the key properties of 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline?
2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline has a molecular weight of 544.66 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 167607453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).