2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C27H18ClN3O — CID 163847764

IUPAC2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)OC1=CC=CC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C12
InChIInChI=1S/C27H18ClN3O/c28-19-14-15-20-23(16-19)32-22-13-7-12-21(24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16,21,24H
InChIKeyORQTZHBRFBTMJA-UHFFFAOYSA-N
MW435.91 g/mol
LogP6.57
Rot. Bonds3

About 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 163847764) has the molecular formula C27H18ClN3O and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID163847764
Molecular FormulaC27H18ClN3O
Molecular Weight435.91 g/mol
Exact Mass435.11
IUPAC Name2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)OC1=CC=CC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C12
InChIInChI=1S/C27H18ClN3O/c28-19-14-15-20-23(16-19)32-22-13-7-12-21(24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16,21,24H
InChIKeyORQTZHBRFBTMJA-UHFFFAOYSA-N
XLogP6.57
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 163645476
9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole
CID 146395829
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine
CID 145016952
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129071044
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 146541885
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 163847764) is 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is Clc1ccc2c(c1)OC1=CC=CC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C12.
What is the InChIKey of 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ORQTZHBRFBTMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O/c28-19-14-15-20-23(16-19)32-22-13-7-12-21(24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16,21,24H.
What are the key properties of 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 435.91 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163847764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).