2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

C49H31N3O — CID 174333729

IUPAC2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C49H31N3O/c1-3-13-35(14-4-1)48-50-43-21-10-9-20-42(43)47(52-48)34-24-22-33(23-25-34)46-40-19-8-7-12-32(40)26-28-41(46)39-18-11-17-37(30-39)38-27-29-45-44(31-38)51-49(53-45)36-15-5-2-6-16-36/h1-31H
InChIKeyTXIMAXGSMCHKNN-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole

2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 174333729) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
PubChem CID174333729
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C49H31N3O/c1-3-13-35(14-4-1)48-50-43-21-10-9-20-42(43)47(52-48)34-24-22-33(23-25-34)46-40-19-8-7-12-32(40)26-28-41(46)39-18-11-17-37(30-39)38-27-29-45-44(31-38)51-49(53-45)36-15-5-2-6-16-36/h1-31H
InChIKeyTXIMAXGSMCHKNN-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
5-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174332810
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
2-phenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310290
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
2-phenyl-6-[1-[4-(6-phenylpyridazin-3-yl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 174333028
2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole
CID 138633502
7-[4-[1-[3-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole
CID 174333578
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole (CID 174333729) is 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc(-c6ccc7oc(-c8ccccc8)nc7c6)c5)ccc5ccccc45)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is TXIMAXGSMCHKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-3-13-35(14-4-1)48-50-43-21-10-9-20-42(43)47(52-48)34-24-22-33(23-25-34)46-40-19-8-7-12-32(40)26-28-41(46)39-18-11-17-37(30-39)38-27-29-45-44(31-38)51-49(53-45)36-15-5-2-6-16-36/h1-31H.
What are the key properties of 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole?
2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-[1-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174333729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).