2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine

C25H14ClN3O — CID 171730912

IUPAC2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3oc4ccccc4c23)n1
InChIInChI=1S/C25H14ClN3O/c26-25-28-23(15-8-2-1-3-9-15)27-24(29-25)22-17-11-5-4-10-16(17)14-20-21(22)18-12-6-7-13-19(18)30-20/h1-14H
InChIKeyMQLRFMDIHANUHW-UHFFFAOYSA-N
MW407.86 g/mol
LogP6.91
Rot. Bonds2

About 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine

2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine (PubChem CID 171730912) has the molecular formula C25H14ClN3O and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
PubChem CID171730912
Molecular FormulaC25H14ClN3O
Molecular Weight407.86 g/mol
Exact Mass407.08
IUPAC Name2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3oc4ccccc4c23)n1
InChIInChI=1S/C25H14ClN3O/c26-25-28-23(15-8-2-1-3-9-15)27-24(29-25)22-17-11-5-4-10-16(17)14-20-21(22)18-12-6-7-13-19(18)30-20/h1-14H
InChIKeyMQLRFMDIHANUHW-UHFFFAOYSA-N
XLogP6.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.86
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-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-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130823
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
2-naphthalen-2-yl-4-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130712
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098
2-phenanthren-9-yl-4-phenyl-6-(11-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 177130877
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
CID 163523335
2-(3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26,28-tetradecaen-12-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 163531791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine (CID 171730912) is 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3oc4ccccc4c23)n1.
What is the InChIKey of 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
The InChIKey is MQLRFMDIHANUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClN3O/c26-25-28-23(15-8-2-1-3-9-15)27-24(29-25)22-17-11-5-4-10-16(17)14-20-21(22)18-12-6-7-13-19(18)30-20/h1-14H.
What are the key properties of 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine has a molecular weight of 407.86 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171730912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).