4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline

C57H37N3 — CID 118552490

IUPAC4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5cc(-c6ccccc6)c6ccccc6c5)cc(-c5cc6ccccc6c(-c6ccccc6)n5)c4)nc3c2)cc1
InChIInChI=1S/C57H37N3/c1-5-17-38(18-6-1)42-29-30-51-54(36-42)59-57(60-56(51)41-23-11-4-12-24-41)48-33-45(46-31-43-25-13-15-27-49(43)52(35-46)39-19-7-2-8-20-39)32-47(34-48)53-37-44-26-14-16-28-50(44)55(58-53)40-21-9-3-10-22-40/h1-37H
InChIKeyYHQDXMJWWDWJKV-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.00
Rot. Bonds7

About 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline

4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline (PubChem CID 118552490) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline
PubChem CID118552490
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5cc(-c6ccccc6)c6ccccc6c5)cc(-c5cc6ccccc6c(-c6ccccc6)n5)c4)nc3c2)cc1
InChIInChI=1S/C57H37N3/c1-5-17-38(18-6-1)42-29-30-51-54(36-42)59-57(60-56(51)41-23-11-4-12-24-41)48-33-45(46-31-43-25-13-15-27-49(43)52(35-46)39-19-7-2-8-20-39)32-47(34-48)53-37-44-26-14-16-28-50(44)55(58-53)40-21-9-3-10-22-40/h1-37H
InChIKeyYHQDXMJWWDWJKV-UHFFFAOYSA-N
XLogP15.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline?
The IUPAC name of 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline (CID 118552490) is 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline.
What is the SMILES notation for 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline?
The canonical SMILES for 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline is c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5cc(-c6ccccc6)c6ccccc6c5)cc(-c5cc6ccccc6c(-c6ccccc6)n5)c4)nc3c2)cc1.
What is the InChIKey of 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline?
The InChIKey is YHQDXMJWWDWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-5-17-38(18-6-1)42-29-30-51-54(36-42)59-57(60-56(51)41-23-11-4-12-24-41)48-33-45(46-31-43-25-13-15-27-49(43)52(35-46)39-19-7-2-8-20-39)32-47(34-48)53-37-44-26-14-16-28-50(44)55(58-53)40-21-9-3-10-22-40/h1-37H.
What are the key properties of 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline?
4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline has a molecular weight of 763.94 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-[3-(1-phenylisoquinolin-3-yl)-5-(4-phenylnaphthalen-2-yl)phenyl]quinazoline is sourced from PubChem (CID 118552490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).