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

C46H30N4 — CID 121402315

IUPAC3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-3-11-34(12-4-1)44-48-45(35-13-5-2-6-14-35)50-46(49-44)36-25-23-33(24-26-36)40-28-27-39(41-16-8-9-17-42(40)41)32-21-19-31(20-22-32)38-29-37-15-7-10-18-43(37)47-30-38/h1-30H
InChIKeySFBIHNHDRZIFKK-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

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

3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (PubChem CID 121402315) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
PubChem CID121402315
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-3-11-34(12-4-1)44-48-45(35-13-5-2-6-14-35)50-46(49-44)36-25-23-33(24-26-36)40-28-27-39(41-16-8-9-17-42(40)41)32-21-19-31(20-22-32)38-29-37-15-7-10-18-43(37)47-30-38/h1-30H
InChIKeySFBIHNHDRZIFKK-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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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161219617
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
3-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 167411606
3-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165062621
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The IUPAC name of 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (CID 121402315) is 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The canonical SMILES for 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The InChIKey is SFBIHNHDRZIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-11-34(12-4-1)44-48-45(35-13-5-2-6-14-35)50-46(49-44)36-25-23-33(24-26-36)40-28-27-39(41-16-8-9-17-42(40)41)32-21-19-31(20-22-32)38-29-37-15-7-10-18-43(37)47-30-38/h1-30H.
What are the key properties of 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
3-[4-[4-[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 3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is sourced from PubChem (CID 121402315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).