4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline

C44H34N4 — CID 67965684

IUPAC4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1cc(C)c(-c2nc(-c3ccccc3)nc3ccccc23)cc1C
InChIInChI=1S/C44H34N4/c1-27-25-37(41-33-19-11-13-21-39(33)45-43(47-41)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)38(26-28(36)2)42-34-20-12-14-22-40(34)46-44(48-42)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyIKOKRNWYMYDRCZ-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.14
Rot. Bonds5

About 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline

4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline (PubChem CID 67965684) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline
PubChem CID67965684
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline
SMILESCc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1cc(C)c(-c2nc(-c3ccccc3)nc3ccccc23)cc1C
InChIInChI=1S/C44H34N4/c1-27-25-37(41-33-19-11-13-21-39(33)45-43(47-41)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)38(26-28(36)2)42-34-20-12-14-22-40(34)46-44(48-42)32-17-9-6-10-18-32/h5-26H,1-4H3
InChIKeyIKOKRNWYMYDRCZ-UHFFFAOYSA-N
XLogP11.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline (CID 67965684) is 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline is Cc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c(C)cc1-c1cc(C)c(-c2nc(-c3ccccc3)nc3ccccc23)cc1C.
What is the InChIKey of 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline?
The InChIKey is IKOKRNWYMYDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-27-25-37(41-33-19-11-13-21-39(33)45-43(47-41)31-15-7-5-8-16-31)29(3)23-35(27)36-24-30(4)38(26-28(36)2)42-34-20-12-14-22-40(34)46-44(48-42)32-17-9-6-10-18-32/h5-26H,1-4H3.
What are the key properties of 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline?
4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline has a molecular weight of 618.78 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,5-dimethyl-4-(2-phenylquinazolin-4-yl)phenyl]-2,5-dimethylphenyl]-2-phenylquinazoline is sourced from PubChem (CID 67965684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).