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

C49H32N4O — CID 176755159

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2c3ccccc3cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-39(31-29-34)53(38-23-11-4-12-24-38)45-40-25-14-13-22-37(40)32-42-44-41(26-15-27-43(44)54-46(42)45)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H/i4D,11D,12D,23D,24D
InChIKeyMTCVQDBOWFSUOG-ZDRLNADSSA-N
MW697.85 g/mol
LogP13.06
Rot. Bonds7

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

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 176755159) has the molecular formula C49H32N4O and a molecular weight of 697.85 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
PubChem CID176755159
Molecular FormulaC49H32N4O
Molecular Weight697.85 g/mol
Exact Mass697.29
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2c3ccccc3cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H]
InChIInChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-39(31-29-34)53(38-23-11-4-12-24-38)45-40-25-14-13-22-37(40)32-42-44-41(26-15-27-43(44)54-46(42)45)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H/i4D,11D,12D,23D,24D
InChIKeyMTCVQDBOWFSUOG-ZDRLNADSSA-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 ≤ 500697.85
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-(4-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 171050661
2-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 171050609
1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754408
2-phenyl-4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213085
2-(4-naphthalen-1-ylphenyl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050763
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
2-dibenzofuran-3-yl-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050772
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808413
2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808668
4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048402
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166048412

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (CID 176755159) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2c3ccccc3cc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c([2H])c1[2H].
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is MTCVQDBOWFSUOG-ZDRLNADSSA-N. The full InChI is InChI=1S/C49H32N4O/c1-5-16-33(17-6-1)34-28-30-39(31-29-34)53(38-23-11-4-12-24-38)45-40-25-14-13-22-37(40)32-42-44-41(26-15-27-43(44)54-46(42)45)49-51-47(35-18-7-2-8-19-35)50-48(52-49)36-20-9-3-10-21-36/h1-32H/i4D,11D,12D,23D,24D.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 697.85 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 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 176755159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).