2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

C41H25N3O — CID 163487301

IUPAC2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C41H25N3O/c1-3-11-26(12-4-1)31-21-22-35(33-18-10-9-17-32(31)33)41-43-39(27-13-5-2-6-14-27)42-40(44-41)30-19-20-34-36-23-28-15-7-8-16-29(28)24-38(36)45-37(34)25-30/h1-25H/i2D,5D,6D,13D,14D
InChIKeyCPRNJTHZPMJRKZ-LTTLSEBRSA-N
MW580.70 g/mol
LogP10.75
Rot. Bonds4

About 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 163487301) has the molecular formula C41H25N3O and a molecular weight of 580.70 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID163487301
Molecular FormulaC41H25N3O
Molecular Weight580.70 g/mol
Exact Mass580.23
IUPAC Name2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C41H25N3O/c1-3-11-26(12-4-1)31-21-22-35(33-18-10-9-17-32(31)33)41-43-39(27-13-5-2-6-14-27)42-40(44-41)30-19-20-34-36-23-28-15-7-8-16-29(28)24-38(36)45-37(34)25-30/h1-25H/i2D,5D,6D,13D,14D
InChIKeyCPRNJTHZPMJRKZ-LTTLSEBRSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163528916
2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163512941
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[5-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 161324131
2-dibenzofuran-4-yl-4-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770330
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
2-naphtho[2,3-b][1]benzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 163618516
2-dibenzofuran-3-yl-4-[4-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-3-phenylphenyl]-6-phenyl-1,3,5-triazine
CID 153494950
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-1,3,5-triazine
CID 163653841
2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 170521710
3-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663830

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 163487301) is 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is CPRNJTHZPMJRKZ-LTTLSEBRSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-11-26(12-4-1)31-21-22-35(33-18-10-9-17-32(31)33)41-43-39(27-13-5-2-6-14-27)42-40(44-41)30-19-20-34-36-23-28-15-7-8-16-29(28)24-38(36)45-37(34)25-30/h1-25H/i2D,5D,6D,13D,14D.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 580.70 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163487301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).