2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine

C31H20ClN3O — CID 174310954

IUPAC2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc(-c3cc4c5c(oc4c4ccccc34)C=CCC5)c2)n1
InChIInChI=1S/C31H20ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)21-12-8-11-20(17-21)25-18-26-23-14-6-7-16-27(23)36-28(26)24-15-5-4-13-22(24)25/h1-5,7-13,15-18H,6,14H2
InChIKeyXIIJLDHMEDESOX-UHFFFAOYSA-N
MW485.97 g/mol
LogP8.38
Rot. Bonds3

About 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine

2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 174310954) has the molecular formula C31H20ClN3O and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID174310954
Molecular FormulaC31H20ClN3O
Molecular Weight485.97 g/mol
Exact Mass485.13
IUPAC Name2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc(-c3cc4c5c(oc4c4ccccc34)C=CCC5)c2)n1
InChIInChI=1S/C31H20ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)21-12-8-11-20(17-21)25-18-26-23-14-6-7-16-27(23)36-28(26)24-15-5-4-13-22(24)25/h1-5,7-13,15-18H,6,14H2
InChIKeyXIIJLDHMEDESOX-UHFFFAOYSA-N
XLogP8.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 153130331
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-phenyl-4-(3-phenylphenyl)-6-[4-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 164834752
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 174310954) is 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cc4c5c(oc4c4ccccc34)C=CCC5)c2)n1.
What is the InChIKey of 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is XIIJLDHMEDESOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)21-12-8-11-20(17-21)25-18-26-23-14-6-7-16-27(23)36-28(26)24-15-5-4-13-22(24)25/h1-5,7-13,15-18H,6,14H2.
What are the key properties of 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 485.97 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174310954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).