2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine

C51H31N3O — CID 167402770

IUPAC2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7ccc(-c8ccccc8)cc7c6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-11-32(12-4-1)36-20-21-38-29-41(24-22-37(38)27-36)50-52-49(40-23-19-34-15-7-8-16-35(34)28-40)53-51(54-50)44-31-47-48(43-18-10-9-17-42(43)44)45-30-39(25-26-46(45)55-47)33-13-5-2-6-14-33/h1-31H
InChIKeyDMDICNYGKNZOLS-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 167402770) 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-(10-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-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID167402770
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7ccc(-c8ccccc8)cc7c6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-11-32(12-4-1)36-20-21-38-29-41(24-22-37(38)27-36)50-52-49(40-23-19-34-15-7-8-16-35(34)28-40)53-51(54-50)44-31-47-48(43-18-10-9-17-42(43)44)45-30-39(25-26-46(45)55-47)33-13-5-2-6-14-33/h1-31H
InChIKeyDMDICNYGKNZOLS-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

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Related Compounds

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
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167402174
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742551
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
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
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-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-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 167402770) is 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-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-(10-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-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6oc7ccc(-c8ccccc8)cc7c6c6ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is DMDICNYGKNZOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-11-32(12-4-1)36-20-21-38-29-41(24-22-37(38)27-36)50-52-49(40-23-19-34-15-7-8-16-35(34)28-40)53-51(54-50)44-31-47-48(43-18-10-9-17-42(43)44)45-30-39(25-26-46(45)55-47)33-13-5-2-6-14-33/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(10-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-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 167402770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).