10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

C54H32N4O2 — CID 163472733

IUPAC10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc7ccccc7c6c5c4)cc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-12-35(13-4-1)50-51-49(41-16-7-9-19-44(41)55-50)43-32-39(30-31-46(43)60-51)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-21-47-48(40)42-17-8-10-20-45(42)59-47/h1-32H
InChIKeyBXWVEAKPIZBYCL-UHFFFAOYSA-N
MW768.88 g/mol
LogP14.22
Rot. Bonds6

About 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 163472733) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID163472733
Molecular FormulaC54H32N4O2
Molecular Weight768.88 g/mol
Exact Mass768.25
IUPAC Name10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc7ccccc7c6c5c4)cc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-12-35(13-4-1)50-51-49(41-16-7-9-19-44(41)55-50)43-32-39(30-31-46(43)60-51)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-21-47-48(40)42-17-8-10-20-45(42)59-47/h1-32H
InChIKeyBXWVEAKPIZBYCL-UHFFFAOYSA-N
XLogP14.22
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163548746
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenyl-[1]benzofuro[3,2-c]quinoline
CID 152804973
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (CID 163472733) is 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7ccccc7)nc7ccccc7c6c5c4)cc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is BXWVEAKPIZBYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2/c1-3-12-35(13-4-1)50-51-49(41-16-7-9-19-44(41)55-50)43-32-39(30-31-46(43)60-51)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-21-47-48(40)42-17-8-10-20-45(42)59-47/h1-32H.
What are the key properties of 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 768.88 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 163472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).