2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C43H26ClN3O — CID 168845088

IUPAC2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)n1
InChIInChI=1S/C43H26ClN3O/c44-43-46-41(33-14-7-13-30(23-33)32-20-18-28-17-19-31(24-35(28)25-32)27-9-3-1-4-10-27)45-42(47-43)34-21-22-37-39(26-34)48-38-16-8-15-36(40(37)38)29-11-5-2-6-12-29/h1-26H
InChIKeyWXFFPMPKJJFEBG-UHFFFAOYSA-N
MW636.15 g/mol
LogP11.91
Rot. Bonds5

About 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845088) has the molecular formula C43H26ClN3O and a molecular weight of 636.15 g/mol. Its IUPAC name is 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845088
Molecular FormulaC43H26ClN3O
Molecular Weight636.15 g/mol
Exact Mass635.18
IUPAC Name2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)n1
InChIInChI=1S/C43H26ClN3O/c44-43-46-41(33-14-7-13-30(23-33)32-20-18-28-17-19-31(24-35(28)25-32)27-9-3-1-4-10-27)45-42(47-43)34-21-22-37-39(26-34)48-38-16-8-15-36(40(37)38)29-11-5-2-6-12-29/h1-26H
InChIKeyWXFFPMPKJJFEBG-UHFFFAOYSA-N
XLogP11.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.15
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-(6-phenylnaphthalen-2-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797808
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845082
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170305773
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845088) is 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3c(c2)oc2cccc(-c4ccccc4)c23)n1.
What is the InChIKey of 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is WXFFPMPKJJFEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26ClN3O/c44-43-46-41(33-14-7-13-30(23-33)32-20-18-28-17-19-31(24-35(28)25-32)27-9-3-1-4-10-27)45-42(47-43)34-21-22-37-39(26-34)48-38-16-8-15-36(40(37)38)29-11-5-2-6-12-29/h1-26H.
What are the key properties of 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 636.15 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).