2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine

C45H27N5O — CID 168746437

IUPAC2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6c(n5)oc5ccccc56)c5ncccc45)cc4ccccc34)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-12-28(13-4-1)42-48-43(29-14-5-2-6-15-29)50-44(49-42)38-27-31(26-30-16-7-8-17-32(30)38)33-21-22-37(41-35(33)19-11-25-46-41)39-24-23-36-34-18-9-10-20-40(34)51-45(36)47-39/h1-27H
InChIKeyPCCSVOVBGAWRMA-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.20
Rot. Bonds5

About 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine

2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168746437) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168746437
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6c(n5)oc5ccccc56)c5ncccc45)cc4ccccc34)n2)cc1
InChIInChI=1S/C45H27N5O/c1-3-12-28(13-4-1)42-48-43(29-14-5-2-6-15-29)50-44(49-42)38-27-31(26-30-16-7-8-17-32(30)38)33-21-22-37(41-35(33)19-11-25-46-41)39-24-23-36-34-18-9-10-20-40(34)51-45(36)47-39/h1-27H
InChIKeyPCCSVOVBGAWRMA-UHFFFAOYSA-N
XLogP11.20
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 168745760
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]isoquinolin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746329
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746878
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746922
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-ylphenyl]-[1]benzofuro[2,3-b]pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-[1]benzofuro[2,3-b]pyridine;8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-naphthalen-1-ylphenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-[1]benzofuro[3,2-b]pyridine
CID 161274309
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168746849
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine (CID 168746437) is 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6c(n5)oc5ccccc56)c5ncccc45)cc4ccccc34)n2)cc1.
What is the InChIKey of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is PCCSVOVBGAWRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-12-28(13-4-1)42-48-43(29-14-5-2-6-15-29)50-44(49-42)38-27-31(26-30-16-7-8-17-32(30)38)33-21-22-37(41-35(33)19-11-25-46-41)39-24-23-36-34-18-9-10-20-40(34)51-45(36)47-39/h1-27H.
What are the key properties of 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine?
2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 653.75 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinolin-8-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168746437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).