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

C49H32N4O — CID 171757123

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)cc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-5-15-33(16-6-1)34-25-27-39(28-26-34)53(38-21-11-4-12-22-38)40-29-30-41-37(31-40)32-43(45-42-23-13-14-24-44(42)54-46(41)45)49-51-47(35-17-7-2-8-18-35)50-48(52-49)36-19-9-3-10-20-36/h1-32H
InChIKeyWLSVOZQYXCKBRB-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

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

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 171757123) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
PubChem CID171757123
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)cc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-5-15-33(16-6-1)34-25-27-39(28-26-34)53(38-21-11-4-12-22-38)40-29-30-41-37(31-40)32-43(45-42-23-13-14-24-44(42)54-46(41)45)49-51-47(35-17-7-2-8-18-35)50-48(52-49)36-19-9-3-10-20-36/h1-32H
InChIKeyWLSVOZQYXCKBRB-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

2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040
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
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757161

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (CID 171757123) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)cc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3c5ccccc5oc43)cc2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The InChIKey is WLSVOZQYXCKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-5-15-33(16-6-1)34-25-27-39(28-26-34)53(38-21-11-4-12-22-38)40-29-30-41-37(31-40)32-43(45-42-23-13-14-24-44(42)54-46(41)45)49-51-47(35-17-7-2-8-18-35)50-48(52-49)36-19-9-3-10-20-36/h1-32H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine 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 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 171757123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).