4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline

C58H38N4 — CID 144856515

IUPAC4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc(C6=Nc7ccccc7C(c7ccc8ccc(-c9ccccc9)cc8c7)N6)c6ccccc56)nc5ccccc45)cc3c2)cc1
InChIInChI=1S/C58H38N4/c1-3-13-37(14-4-1)41-27-23-39-25-29-43(35-45(39)33-41)55-51-19-9-11-21-53(51)59-57(61-55)49-31-32-50(48-18-8-7-17-47(48)49)58-60-54-22-12-10-20-52(54)56(62-58)44-30-26-40-24-28-42(34-46(40)36-44)38-15-5-2-6-16-38/h1-36,55H,(H,59,61)
InChIKeyUYCCDAOCUGWGPS-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.53
Rot. Bonds6

About 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline

4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline (PubChem CID 144856515) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline.

Molecular Properties

Compound Name4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline
PubChem CID144856515
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc(C6=Nc7ccccc7C(c7ccc8ccc(-c9ccccc9)cc8c7)N6)c6ccccc56)nc5ccccc45)cc3c2)cc1
InChIInChI=1S/C58H38N4/c1-3-13-37(14-4-1)41-27-23-39-25-29-43(35-45(39)33-41)55-51-19-9-11-21-53(51)59-57(61-55)49-31-32-50(48-18-8-7-17-47(48)49)58-60-54-22-12-10-20-52(54)56(62-58)44-30-26-40-24-28-42(34-46(40)36-44)38-15-5-2-6-16-38/h1-36,55H,(H,59,61)
InChIKeyUYCCDAOCUGWGPS-UHFFFAOYSA-N
XLogP14.53
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline
CID 163610582
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-naphthalen-2-yl-2-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)quinazoline
CID 167402970
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146540820
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666016

Frequently Asked Questions

What is the IUPAC name of 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline?
The IUPAC name of 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline (CID 144856515) is 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline.
What is the SMILES notation for 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline?
The canonical SMILES for 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline is c1ccc(-c2ccc3ccc(-c4nc(-c5ccc(C6=Nc7ccccc7C(c7ccc8ccc(-c9ccccc9)cc8c7)N6)c6ccccc56)nc5ccccc45)cc3c2)cc1.
What is the InChIKey of 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline?
The InChIKey is UYCCDAOCUGWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-3-13-37(14-4-1)41-27-23-39-25-29-43(35-45(39)33-41)55-51-19-9-11-21-53(51)59-57(61-55)49-31-32-50(48-18-8-7-17-47(48)49)58-60-54-22-12-10-20-52(54)56(62-58)44-30-26-40-24-28-42(34-46(40)36-44)38-15-5-2-6-16-38/h1-36,55H,(H,59,61).
What are the key properties of 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline?
4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline has a molecular weight of 790.97 g/mol, XLogP of 14.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-3,4-dihydroquinazolin-2-yl]naphthalen-1-yl]quinazoline is sourced from PubChem (CID 144856515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).