3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline

C61H38N4O2 — CID 167424279

IUPAC3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c5c4oc4ccc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C61H38N4O2/c1-4-15-39(16-5-1)40-27-31-46(32-28-40)65(45-21-8-3-9-22-45)47-23-14-20-43(37-47)49-33-34-51(57-56-48-24-11-10-17-41(48)29-36-55(56)67-58(49)57)61-63-59(42-18-6-2-7-19-42)62-60(64-61)44-30-35-54-52(38-44)50-25-12-13-26-53(50)66-54/h1-38H
InChIKeyYEPKGDZKKCBAKL-UHFFFAOYSA-N
MW859.00 g/mol
LogP16.63
Rot. Bonds8

About 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline

3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167424279) has the molecular formula C61H38N4O2 and a molecular weight of 859.00 g/mol. Its IUPAC name is 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167424279
Molecular FormulaC61H38N4O2
Molecular Weight859.00 g/mol
Exact Mass858.30
IUPAC Name3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c5c4oc4ccc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C61H38N4O2/c1-4-15-39(16-5-1)40-27-31-46(32-28-40)65(45-21-8-3-9-22-45)47-23-14-20-43(37-47)49-33-34-51(57-56-48-24-11-10-17-41(48)29-36-55(56)67-58(49)57)61-63-59(42-18-6-2-7-19-42)62-60(64-61)44-30-35-54-52(38-44)50-25-12-13-26-53(50)66-54/h1-38H
InChIKeyYEPKGDZKKCBAKL-UHFFFAOYSA-N
XLogP16.63
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
N-(4-dibenzofuran-2-ylphenyl)-3-naphtho[2,1-g][1,3]benzoxazol-2-yl-N-phenylaniline
CID 177119767
2-[8-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4,6-diphenyl-1,3,5-triazine
CID 171757245
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 160744349
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100

Frequently Asked Questions

What is the IUPAC name of 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 167424279) is 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c5c4oc4ccc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YEPKGDZKKCBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O2/c1-4-15-39(16-5-1)40-27-31-46(32-28-40)65(45-21-8-3-9-22-45)47-23-14-20-43(37-47)49-33-34-51(57-56-48-24-11-10-17-41(48)29-36-55(56)67-58(49)57)61-63-59(42-18-6-2-7-19-42)62-60(64-61)44-30-35-54-52(38-44)50-25-12-13-26-53(50)66-54/h1-38H.
What are the key properties of 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline?
3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 859.00 g/mol, XLogP of 16.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).