4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline

C49H32N4O — CID 171757236

IUPAC4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-5-16-34(17-6-1)47-50-48(35-18-7-2-8-19-35)52-49(51-47)43-32-44-45(41-25-14-13-24-40(41)43)42-27-15-26-39(46(42)54-44)33-28-30-38(31-29-33)53(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-32H
InChIKeySQQGGHMSWPDBDA-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

About 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline (PubChem CID 171757236) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
PubChem CID171757236
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4O/c1-5-16-34(17-6-1)47-50-48(35-18-7-2-8-19-35)52-49(51-47)43-32-44-45(41-25-14-13-24-40(41)43)42-27-15-26-39(46(42)54-44)33-28-30-38(31-29-33)53(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-32H
InChIKeySQQGGHMSWPDBDA-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 156558838
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
CID 167403219
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403127
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757155
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808637

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline (CID 171757236) is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
The InChIKey is SQQGGHMSWPDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-5-16-34(17-6-1)47-50-48(35-18-7-2-8-19-35)52-49(51-47)43-32-44-45(41-25-14-13-24-40(41)43)42-27-15-26-39(46(42)54-44)33-28-30-38(31-29-33)53(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-32H.
What are the key properties of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline?
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline is sourced from PubChem (CID 171757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).