6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline

C42H24N4O — CID 174288212

IUPAC6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-c3cc4c5cnccc5ccc4c4ccccc34)n2)cc1
InChIInChI=1S/C42H24N4O/c1-2-9-27(10-3-1)40-44-41(28-15-18-33-38(22-28)47-37-19-16-25-8-4-5-11-29(25)39(33)37)46-42(45-40)35-23-34-32(30-12-6-7-13-31(30)35)17-14-26-20-21-43-24-36(26)34/h1-24H
InChIKeyWEQMYTLYLSDGCM-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.78
Rot. Bonds3

About 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline

6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline (PubChem CID 174288212) has the molecular formula C42H24N4O and a molecular weight of 600.68 g/mol. Its IUPAC name is 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline.

Molecular Properties

Compound Name6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
PubChem CID174288212
Molecular FormulaC42H24N4O
Molecular Weight600.68 g/mol
Exact Mass600.20
IUPAC Name6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-c3cc4c5cnccc5ccc4c4ccccc34)n2)cc1
InChIInChI=1S/C42H24N4O/c1-2-9-27(10-3-1)40-44-41(28-15-18-33-38(22-28)47-37-19-16-25-8-4-5-11-29(25)39(33)37)46-42(45-40)35-23-34-32(30-12-6-7-13-31(30)35)17-14-26-20-21-43-24-36(26)34/h1-24H
InChIKeyWEQMYTLYLSDGCM-UHFFFAOYSA-N
XLogP10.78
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-chrysen-6-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 166802109
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
6-[2-(4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-h]isoquinoline
CID 174288331
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174296972
2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834
2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 137465836
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine
CID 170016012
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785628

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline?
The IUPAC name of 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline (CID 174288212) is 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline.
What is the SMILES notation for 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline?
The canonical SMILES for 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-c3cc4c5cnccc5ccc4c4ccccc34)n2)cc1.
What is the InChIKey of 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline?
The InChIKey is WEQMYTLYLSDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O/c1-2-9-27(10-3-1)40-44-41(28-15-18-33-38(22-28)47-37-19-16-25-8-4-5-11-29(25)39(33)37)46-42(45-40)35-23-34-32(30-12-6-7-13-31(30)35)17-14-26-20-21-43-24-36(26)34/h1-24H.
What are the key properties of 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline?
6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline has a molecular weight of 600.68 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline is sourced from PubChem (CID 174288212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).