N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

C46H29N3O — CID 171597200

IUPACN,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C46H29N3O/c1-2-13-32(14-3-1)45-38-17-8-9-19-41(38)47-46(48-45)40-18-10-20-42-44(40)39-26-25-37(29-43(39)50-42)49(35-23-21-30-11-4-6-15-33(30)27-35)36-24-22-31-12-5-7-16-34(31)28-36/h1-29H
InChIKeyNBQRTRULKFJOBK-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.64
Rot. Bonds5

About N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (PubChem CID 171597200) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
PubChem CID171597200
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC NameN,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C46H29N3O/c1-2-13-32(14-3-1)45-38-17-8-9-19-41(38)47-46(48-45)40-18-10-20-42-44(40)39-26-25-37(29-43(39)50-42)49(35-23-21-30-11-4-6-15-33(30)27-35)36-24-22-31-12-5-7-16-34(31)28-36/h1-29H
InChIKeyNBQRTRULKFJOBK-UHFFFAOYSA-N
XLogP12.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107
N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 163993269
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
N-dibenzofuran-3-yl-9-(4,6-diphenylpyrimidin-2-yl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597034
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166511407
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177082281
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
CID 176817603
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (CID 171597200) is N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is c1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c34)nc3ccccc23)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The InChIKey is NBQRTRULKFJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-2-13-32(14-3-1)45-38-17-8-9-19-41(38)47-46(48-45)40-18-10-20-42-44(40)39-26-25-37(29-43(39)50-42)49(35-23-21-30-11-4-6-15-33(30)27-35)36-24-22-31-12-5-7-16-34(31)28-36/h1-29H.
What are the key properties of N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine has a molecular weight of 639.76 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171597200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).