2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline

C73H47N7 — CID 121311659

IUPAC2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C73H47N7/c1-4-18-52(19-5-1)69-74-65-34-12-10-32-63(65)67(76-69)50-40-36-48(37-41-50)55-24-14-26-57(44-55)59-28-16-30-61(46-59)72-78-71(54-22-8-3-9-23-54)79-73(80-72)62-31-17-29-60(47-62)58-27-15-25-56(45-58)49-38-42-51(43-39-49)68-64-33-11-13-35-66(64)75-70(77-68)53-20-6-2-7-21-53/h1-47H
InChIKeyZHWVFOMJVKXXEV-UHFFFAOYSA-N
MW1022.23 g/mol
LogP18.09
Rot. Bonds11

About 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline

2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline (PubChem CID 121311659) has the molecular formula C73H47N7 and a molecular weight of 1022.23 g/mol. Its IUPAC name is 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline
PubChem CID121311659
Molecular FormulaC73H47N7
Molecular Weight1022.23 g/mol
Exact Mass1021.39
IUPAC Name2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C73H47N7/c1-4-18-52(19-5-1)69-74-65-34-12-10-32-63(65)67(76-69)50-40-36-48(37-41-50)55-24-14-26-57(44-55)59-28-16-30-61(46-59)72-78-71(54-22-8-3-9-23-54)79-73(80-72)62-31-17-29-60(47-62)58-27-15-25-56(45-58)49-38-42-51(43-39-49)68-64-33-11-13-35-66(64)75-70(77-68)53-20-6-2-7-21-53/h1-47H
InChIKeyZHWVFOMJVKXXEV-UHFFFAOYSA-N
XLogP18.09
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.23
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The IUPAC name of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline (CID 121311659) is 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The canonical SMILES for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The InChIKey is ZHWVFOMJVKXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N7/c1-4-18-52(19-5-1)69-74-65-34-12-10-32-63(65)67(76-69)50-40-36-48(37-41-50)55-24-14-26-57(44-55)59-28-16-30-61(46-59)72-78-71(54-22-8-3-9-23-54)79-73(80-72)62-31-17-29-60(47-62)58-27-15-25-56(45-58)49-38-42-51(43-39-49)68-64-33-11-13-35-66(64)75-70(77-68)53-20-6-2-7-21-53/h1-47H.
What are the key properties of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline?
2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline has a molecular weight of 1022.23 g/mol, XLogP of 18.09, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline is sourced from PubChem (CID 121311659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).