2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C35H20ClN3O — CID 155122129

IUPAC2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c21
InChIInChI=1S/C35H20ClN3O/c36-26-16-17-28-30(20-26)40-32-27-13-7-6-12-24(27)19-29(31(28)32)35-38-33(22-9-2-1-3-10-22)37-34(39-35)25-15-14-21-8-4-5-11-23(21)18-25/h1-20H
InChIKeyTXRRYUYNCSHEMU-UHFFFAOYSA-N
MW534.02 g/mol
LogP9.73
Rot. Bonds3

About 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 155122129) has the molecular formula C35H20ClN3O and a molecular weight of 534.02 g/mol. Its IUPAC name is 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID155122129
Molecular FormulaC35H20ClN3O
Molecular Weight534.02 g/mol
Exact Mass533.13
IUPAC Name2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c21
InChIInChI=1S/C35H20ClN3O/c36-26-16-17-28-30(20-26)40-32-27-13-7-6-12-24(27)19-29(31(28)32)35-38-33(22-9-2-1-3-10-22)37-34(39-35)25-15-14-21-8-4-5-11-23(21)18-25/h1-20H
InChIKeyTXRRYUYNCSHEMU-UHFFFAOYSA-N
XLogP9.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.02
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
CID 169048803
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618

Frequently Asked Questions

What is the IUPAC name of 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 155122129) is 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Clc1ccc2c(c1)oc1c3ccccc3cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c21.
What is the InChIKey of 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is TXRRYUYNCSHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClN3O/c36-26-16-17-28-30(20-26)40-32-27-13-7-6-12-24(27)19-29(31(28)32)35-38-33(22-9-2-1-3-10-22)37-34(39-35)25-15-14-21-8-4-5-11-23(21)18-25/h1-20H.
What are the key properties of 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 534.02 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155122129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).