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

C43H26ClN3O — CID 168845082

IUPAC2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1
InChIInChI=1S/C43H26ClN3O/c44-43-46-41(34-14-7-13-29(25-34)31-19-20-32-23-30(17-18-33(32)24-31)27-9-3-1-4-10-27)45-42(47-43)35-21-22-38-37(26-35)40-36(15-8-16-39(40)48-38)28-11-5-2-6-12-28/h1-26H
InChIKeyRIQQRBRQTTVFCR-UHFFFAOYSA-N
MW636.15 g/mol
LogP11.91
Rot. Bonds5

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

2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845082) has the molecular formula C43H26ClN3O and a molecular weight of 636.15 g/mol. Its IUPAC name is 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845082
Molecular FormulaC43H26ClN3O
Molecular Weight636.15 g/mol
Exact Mass635.18
IUPAC Name2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1
InChIInChI=1S/C43H26ClN3O/c44-43-46-41(34-14-7-13-29(25-34)31-19-20-32-23-30(17-18-33(32)24-31)27-9-3-1-4-10-27)45-42(47-43)35-21-22-38-37(26-35)40-36(15-8-16-39(40)48-38)28-11-5-2-6-12-28/h1-26H
InChIKeyRIQQRBRQTTVFCR-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-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170305773
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845088
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845082) is 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)nc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)n1.
What is the InChIKey of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is RIQQRBRQTTVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26ClN3O/c44-43-46-41(34-14-7-13-29(25-34)31-19-20-32-23-30(17-18-33(32)24-31)27-9-3-1-4-10-27)45-42(47-43)35-21-22-38-37(26-35)40-36(15-8-16-39(40)48-38)28-11-5-2-6-12-28/h1-26H.
What are the key properties of 2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-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-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).