2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine

C47H31N3 — CID 155105161

IUPAC2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccccc6)c6ccccc56)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-4-14-32(15-5-1)38-30-31-42(41-23-13-12-22-40(38)41)43-29-28-33-16-10-11-21-39(33)44(43)34-24-26-37(27-25-34)47-49-45(35-17-6-2-7-18-35)48-46(50-47)36-19-8-3-9-20-36/h1-31H
InChIKeyBXXJDCABKUIVON-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 155105161) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID155105161
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccccc6)c6ccccc56)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-4-14-32(15-5-1)38-30-31-42(41-23-13-12-22-40(38)41)43-29-28-33-16-10-11-21-39(33)44(43)34-24-26-37(27-25-34)47-49-45(35-17-6-2-7-18-35)48-46(50-47)36-19-8-3-9-20-36/h1-31H
InChIKeyBXXJDCABKUIVON-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
3-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]aniline
CID 147605459
4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]naphthalene-1-carbonitrile
CID 142487986
1,2-diphenylnaphthalene
CID 11208267
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzene-1,3-dicarbonitrile
CID 134320433
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 155105161) is 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccccc6)c6ccccc56)ccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is BXXJDCABKUIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-14-32(15-5-1)38-30-31-42(41-23-13-12-22-40(38)41)43-29-28-33-16-10-11-21-39(33)44(43)34-24-26-37(27-25-34)47-49-45(35-17-6-2-7-18-35)48-46(50-47)36-19-8-3-9-20-36/h1-31H.
What are the key properties of 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 155105161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).