11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine

C47H30N4O — CID 167363481

IUPAC11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccccc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(34-28-27-31-15-10-11-18-33(31)29-34)50-47(49-45)39-25-14-26-41-44(39)43-38-24-13-12-23-37(38)40(30-42(43)52-41)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-30H
InChIKeyOFXKPWBMFDCKCA-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.55
Rot. Bonds6

About 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine

11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 167363481) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
PubChem CID167363481
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccccc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(34-28-27-31-15-10-11-18-33(31)29-34)50-47(49-45)39-25-14-26-41-44(39)43-38-24-13-12-23-37(38)40(30-42(43)52-41)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-30H
InChIKeyOFXKPWBMFDCKCA-UHFFFAOYSA-N
XLogP12.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363460
2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
CID 176844554
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[11-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 164979443
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170212928
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707819
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707795
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280

Frequently Asked Questions

What is the IUPAC name of 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine (CID 167363481) is 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccccc6)c6ccccc6c5c34)n2)cc1.
What is the InChIKey of 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is OFXKPWBMFDCKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-4-16-32(17-5-1)45-48-46(34-28-27-31-15-10-11-18-33(31)29-34)50-47(49-45)39-25-14-26-41-44(39)43-38-24-13-12-23-37(38)40(30-42(43)52-41)51(35-19-6-2-7-20-35)36-21-8-3-9-22-36/h1-30H.
What are the key properties of 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine?
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 666.78 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 167363481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).