8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline

C46H30N4 — CID 121402277

IUPAC8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc8cccnc78)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-3-11-36(12-4-1)44-48-45(37-13-5-2-6-14-37)50-46(49-44)38-28-26-32(27-29-38)40-20-8-16-34-15-7-19-39(42(34)40)31-22-24-33(25-23-31)41-21-9-17-35-18-10-30-47-43(35)41/h1-30H
InChIKeyAYEFKNLPIJZHHJ-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline

8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (PubChem CID 121402277) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
PubChem CID121402277
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc8cccnc78)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-3-11-36(12-4-1)44-48-45(37-13-5-2-6-14-37)50-46(49-44)38-28-26-32(27-29-38)40-20-8-16-34-15-7-19-39(42(34)40)31-22-24-33(25-23-31)41-21-9-17-35-18-10-30-47-43(35)41/h1-30H
InChIKeyAYEFKNLPIJZHHJ-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (CID 121402277) is 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc8cccnc78)cc6)c45)cc3)n2)cc1.
What is the InChIKey of 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The InChIKey is AYEFKNLPIJZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-11-36(12-4-1)44-48-45(37-13-5-2-6-14-37)50-46(49-44)38-28-26-32(27-29-38)40-20-8-16-34-15-7-19-39(42(34)40)31-22-24-33(25-23-31)41-21-9-17-35-18-10-30-47-43(35)41/h1-30H.
What are the key properties of 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is sourced from PubChem (CID 121402277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).