2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C49H33N3 — CID 171730885

IUPAC2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)c6ccccc6c5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N3/c1-5-17-34(18-6-1)38-25-15-27-40(31-38)48-50-47(37-23-11-4-12-24-37)51-49(52-48)41-28-16-26-39(32-41)45-33-44(35-19-7-2-8-20-35)42-29-13-14-30-43(42)46(45)36-21-9-3-10-22-36/h1-33H
InChIKeyMFTFSYPCSHOBBM-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

About 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 171730885) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID171730885
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)c6ccccc6c5-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C49H33N3/c1-5-17-34(18-6-1)38-25-15-27-40(31-38)48-50-47(37-23-11-4-12-24-37)51-49(52-48)41-28-16-26-39(32-41)45-33-44(35-19-7-2-8-20-35)42-29-13-14-30-43(42)46(45)36-21-9-3-10-22-36/h1-33H
InChIKeyMFTFSYPCSHOBBM-UHFFFAOYSA-N
XLogP12.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 147995292
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]-1,3,5-triazine
CID 118065856
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2,4-diphenyl-6-[3-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;13-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;13-[4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 158023215
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 137393601
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[3-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 137393351

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 171730885) is 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)c6ccccc6c5-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is MFTFSYPCSHOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-5-17-34(18-6-1)38-25-15-27-40(31-38)48-50-47(37-23-11-4-12-24-37)51-49(52-48)41-28-16-26-39(32-41)45-33-44(35-19-7-2-8-20-35)42-29-13-14-30-43(42)46(45)36-21-9-3-10-22-36/h1-33H.
What are the key properties of 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 663.82 g/mol, XLogP of 12.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171730885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).