2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline

C74H48N4 — CID 146332083

IUPAC2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)nc6c5)nc(-c5ccc6c(-c7ccccc7)cc(-c7ccccc7)nc6c5)c4c3)c2)cc1
InChIInChI=1S/C74H48N4/c1-7-21-49(22-8-1)55-33-19-35-57(41-55)62-44-66(58-36-20-34-56(42-58)50-23-9-2-10-24-50)73-67(45-62)72(60-39-40-63-64(51-25-11-3-12-26-51)48-69(75-70(63)46-60)53-29-15-5-16-30-53)77-74(78-73)61-38-37-59-43-65(52-27-13-4-14-28-52)71(76-68(59)47-61)54-31-17-6-18-32-54/h1-48H
InChIKeyJXKIXXKCALEOLN-UHFFFAOYSA-N
MW993.23 g/mol
LogP19.40
Rot. Bonds10

About 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline

2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline (PubChem CID 146332083) has the molecular formula C74H48N4 and a molecular weight of 993.23 g/mol. Its IUPAC name is 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline
PubChem CID146332083
Molecular FormulaC74H48N4
Molecular Weight993.23 g/mol
Exact Mass992.39
IUPAC Name2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)nc6c5)nc(-c5ccc6c(-c7ccccc7)cc(-c7ccccc7)nc6c5)c4c3)c2)cc1
InChIInChI=1S/C74H48N4/c1-7-21-49(22-8-1)55-33-19-35-57(41-55)62-44-66(58-36-20-34-56(42-58)50-23-9-2-10-24-50)73-67(45-62)72(60-39-40-63-64(51-25-11-3-12-26-51)48-69(75-70(63)46-60)53-29-15-5-16-30-53)77-74(78-73)61-38-37-59-43-65(52-27-13-4-14-28-52)71(76-68(59)47-61)54-31-17-6-18-32-54/h1-48H
InChIKeyJXKIXXKCALEOLN-UHFFFAOYSA-N
XLogP19.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.23
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6,8-tetraphenylquinazoline
CID 143301080
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile
CID 159272483
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
CID 118552110
2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
CID 58049706
2,5,7-triphenylquinoline
CID 91559577
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568851
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
1,3-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166568642
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 158087363

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline?
The IUPAC name of 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline (CID 146332083) is 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline.
What is the SMILES notation for 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline?
The canonical SMILES for 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)nc6c5)nc(-c5ccc6c(-c7ccccc7)cc(-c7ccccc7)nc6c5)c4c3)c2)cc1.
What is the InChIKey of 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline?
The InChIKey is JXKIXXKCALEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N4/c1-7-21-49(22-8-1)55-33-19-35-57(41-55)62-44-66(58-36-20-34-56(42-58)50-23-9-2-10-24-50)73-67(45-62)72(60-39-40-63-64(51-25-11-3-12-26-51)48-69(75-70(63)46-60)53-29-15-5-16-30-53)77-74(78-73)61-38-37-59-43-65(52-27-13-4-14-28-52)71(76-68(59)47-61)54-31-17-6-18-32-54/h1-48H.
What are the key properties of 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline?
2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline has a molecular weight of 993.23 g/mol, XLogP of 19.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylquinolin-7-yl)-4-(2,4-diphenylquinolin-7-yl)-6,8-bis(3-phenylphenyl)quinazoline is sourced from PubChem (CID 146332083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).