N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine

C44H28N4O — CID 170254580

IUPACN-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-3-9-33(10-4-1)47(36-23-26-42-39(28-36)38-13-7-8-14-41(38)49-42)34-21-17-29(18-22-34)31-19-24-37-32(27-31)16-15-30-20-25-40-44(43(30)37)46-48(45-40)35-11-5-2-6-12-35/h1-28H
InChIKeyIBFKLJFBSBIQDJ-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.76
Rot. Bonds5

About N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 170254580) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID170254580
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC NameN-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C44H28N4O/c1-3-9-33(10-4-1)47(36-23-26-42-39(28-36)38-13-7-8-14-41(38)49-42)34-21-17-29(18-22-34)31-19-24-37-32(27-31)16-15-30-20-25-40-44(43(30)37)46-48(45-40)35-11-5-2-6-12-35/h1-28H
InChIKeyIBFKLJFBSBIQDJ-UHFFFAOYSA-N
XLogP11.76
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
CID 168743066
N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
CID 170254578
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine (CID 170254580) is N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine is c1ccc(N(c2ccc(-c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is IBFKLJFBSBIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-3-9-33(10-4-1)47(36-23-26-42-39(28-36)38-13-7-8-14-41(38)49-42)34-21-17-29(18-22-34)31-19-24-37-32(27-31)16-15-30-20-25-40-44(43(30)37)46-48(45-40)35-11-5-2-6-12-35/h1-28H.
What are the key properties of N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 628.74 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170254580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).