N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

C42H27N3O — CID 163993269

IUPACN-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3O/c1-3-14-29(15-4-1)41-33-20-9-10-22-36(33)43-42(44-41)35-21-12-24-38-40(35)34-26-25-31(27-39(34)46-38)45(30-17-5-2-6-18-30)37-23-11-16-28-13-7-8-19-32(28)37/h1-27H
InChIKeyUCMNPEQZKQWHCU-UHFFFAOYSA-N
MW589.70 g/mol
LogP11.49
Rot. Bonds5

About N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (PubChem CID 163993269) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
PubChem CID163993269
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC NameN-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3O/c1-3-14-29(15-4-1)41-33-20-9-10-22-36(33)43-42(44-41)35-21-12-24-38-40(35)34-26-25-31(27-39(34)46-38)45(30-17-5-2-6-18-30)37-23-11-16-28-13-7-8-19-32(28)37/h1-27H
InChIKeyUCMNPEQZKQWHCU-UHFFFAOYSA-N
XLogP11.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 511.49
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,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 171597200
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166974750
9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325582
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-dibenzofuran-3-yl-9-(4,6-diphenylpyrimidin-2-yl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597034

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (CID 163993269) is N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is c1ccc(-c2nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c34)nc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The InChIKey is UCMNPEQZKQWHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-3-14-29(15-4-1)41-33-20-9-10-22-36(33)43-42(44-41)35-21-12-24-38-40(35)34-26-25-31(27-39(34)46-38)45(30-17-5-2-6-18-30)37-23-11-16-28-13-7-8-19-32(28)37/h1-27H.
What are the key properties of N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine has a molecular weight of 589.70 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 163993269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).