2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine

C51H31N3O — CID 167403127

IUPAC2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7c(-c8ccccc8)cccc7c6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-12-32(13-4-1)36-23-24-38-30-40(27-25-37(38)28-36)50-52-49(39-26-22-33-14-7-8-17-35(33)29-39)53-51(54-50)45-31-46-47(43-19-10-9-18-42(43)45)44-21-11-20-41(48(44)55-46)34-15-5-2-6-16-34/h1-31H
InChIKeyJHJQKHNGTJBOHX-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 167403127) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID167403127
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7c(-c8ccccc8)cccc7c6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-12-32(13-4-1)36-23-24-38-30-40(27-25-37(38)28-36)50-52-49(39-26-22-33-14-7-8-17-35(33)29-39)53-51(54-50)45-31-46-47(43-19-10-9-18-42(43)45)44-21-11-20-41(48(44)55-46)34-15-5-2-6-16-34/h1-31H
InChIKeyJHJQKHNGTJBOHX-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine 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

2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-phenyl-6-(7-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-12-yl)-1,3,5-triazine
CID 166569960
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
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-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741408
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[11-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 164979443
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402770
2-naphthalen-2-yl-4-[10-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164707567

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 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) is 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7c(-c8ccccc8)cccc7c6c6ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is JHJQKHNGTJBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-12-32(13-4-1)36-23-24-38-30-40(27-25-37(38)28-36)50-52-49(39-26-22-33-14-7-8-17-35(33)29-39)53-51(54-50)45-31-46-47(43-19-10-9-18-42(43)45)44-21-11-20-41(48(44)55-46)34-15-5-2-6-16-34/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 167403127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).