4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline

C66H42N6 — CID 170025871

IUPAC4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C66H42N6/c1-4-17-49(18-5-1)64-67-57-28-13-10-23-54(57)61(70-64)46-37-31-43(32-38-46)52-26-16-27-53(44-33-39-47(40-34-44)62-55-24-11-14-29-58(55)68-65(71-62)50-19-6-2-7-20-50)60(52)45-35-41-48(42-36-45)63-56-25-12-15-30-59(56)69-66(72-63)51-21-8-3-9-22-51/h1-42H
InChIKeyFTUACEWXIBEUHP-UHFFFAOYSA-N
MW919.10 g/mol
LogP16.52
Rot. Bonds9

About 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline

4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline (PubChem CID 170025871) has the molecular formula C66H42N6 and a molecular weight of 919.10 g/mol. Its IUPAC name is 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
PubChem CID170025871
Molecular FormulaC66H42N6
Molecular Weight919.10 g/mol
Exact Mass918.35
IUPAC Name4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C66H42N6/c1-4-17-49(18-5-1)64-67-57-28-13-10-23-54(57)61(70-64)46-37-31-43(32-38-46)52-26-16-27-53(44-33-39-47(40-34-44)62-55-24-11-14-29-58(55)68-65(71-62)50-19-6-2-7-20-50)60(52)45-35-41-48(42-36-45)63-56-25-12-15-30-59(56)69-66(72-63)51-21-8-3-9-22-51/h1-42H
InChIKeyFTUACEWXIBEUHP-UHFFFAOYSA-N
XLogP16.52
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.10
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
5'-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 168855300
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
2,4,5-triphenylquinazoline
CID 23079071
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline (CID 170025871) is 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline?
The InChIKey is FTUACEWXIBEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6/c1-4-17-49(18-5-1)64-67-57-28-13-10-23-54(57)61(70-64)46-37-31-43(32-38-46)52-26-16-27-53(44-33-39-47(40-34-44)62-55-24-11-14-29-58(55)68-65(71-62)50-19-6-2-7-20-50)60(52)45-35-41-48(42-36-45)63-56-25-12-15-30-59(56)69-66(72-63)51-21-8-3-9-22-51/h1-42H.
What are the key properties of 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline?
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline has a molecular weight of 919.10 g/mol, XLogP of 16.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 170025871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).