N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine

C50H33N3O — CID 171597107

IUPACN-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)49-42-19-10-11-21-45(42)51-50(52-49)44-20-12-22-46-48(44)43-32-31-41(33-47(43)54-46)53(39-17-8-3-9-18-39)40-29-27-37(28-30-40)35-15-6-2-7-16-35/h1-33H
InChIKeyZZYXQUOXIAVFFH-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.67
Rot. Bonds7

About N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine

N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine (PubChem CID 171597107) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
PubChem CID171597107
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC NameN-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)49-42-19-10-11-21-45(42)51-50(52-49)44-20-12-22-46-48(44)43-32-31-41(33-47(43)54-46)53(39-17-8-3-9-18-39)40-29-27-37(28-30-40)35-15-6-2-7-16-35/h1-33H
InChIKeyZZYXQUOXIAVFFH-UHFFFAOYSA-N
XLogP13.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 163993269
N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 171597200
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
CID 176817789
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
7-dibenzofuran-1-yl-2,4-diphenylquinazoline;2-(4-dibenzofuran-1-ylphenyl)-3-[3-(3-phenylquinoxalin-2-yl)phenyl]quinoxaline;3-[3-(4-dibenzofuran-1-ylphenyl)quinoxalin-2-yl]-N,N-diphenylaniline;2,3-di(dibenzofuran-1-yl)quinoxaline
CID 164954075
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N-dibenzofuran-3-yl-9-(4,6-diphenylpyrimidin-2-yl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597034
N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
CID 169281011
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine (CID 171597107) is N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c45)nc4ccccc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine?
The InChIKey is ZZYXQUOXIAVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)49-42-19-10-11-21-45(42)51-50(52-49)44-20-12-22-46-48(44)43-32-31-41(33-47(43)54-46)53(39-17-8-3-9-18-39)40-29-27-37(28-30-40)35-15-6-2-7-16-35/h1-33H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine?
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine has a molecular weight of 691.83 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 171597107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).