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

C49H32N4O — CID 166974736

IUPAC4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C49H32N4O/c1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)38-30-42(46-44(31-38)43-29-36-19-13-14-20-37(36)32-45(43)54-46)33-25-27-41(28-26-33)53(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-32H
InChIKeyZHBQHGIYJJRCCF-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

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

4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline (PubChem CID 166974736) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
PubChem CID166974736
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C49H32N4O/c1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)38-30-42(46-44(31-38)43-29-36-19-13-14-20-37(36)32-45(43)54-46)33-25-27-41(28-26-33)53(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-32H
InChIKeyZHBQHGIYJJRCCF-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

N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,3-diphenylaniline
CID 166974730
N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
CID 166511583
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167144229
N,N-diphenyl-4-[2-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]aniline
CID 166974739
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167424063
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine
CID 166511396
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline (CID 166974736) is 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4oc5cc6ccccc6cc5c4c3)n2)cc1.
What is the InChIKey of 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline?
The InChIKey is ZHBQHGIYJJRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)38-30-42(46-44(31-38)43-29-36-19-13-14-20-37(36)32-45(43)54-46)33-25-27-41(28-26-33)53(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h1-32H.
What are the key properties of 4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline?
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 166974736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).