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

C50H34N4 — CID 155203946

IUPAC4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESC1=c2ccccc2=C(c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5ccnc6ccccc56)cc4)n3)cc2)CC1
InChIInChI=1S/C50H34N4/c1-3-13-41-33(9-1)11-7-16-43(41)35-19-25-38(26-20-35)48-52-49(39-27-21-36(22-28-39)44-17-8-12-34-10-2-4-14-42(34)44)54-50(53-48)40-29-23-37(24-30-40)45-31-32-51-47-18-6-5-15-46(45)47/h1-7,9-16,18-32H,8,17H2
InChIKeyMCGXXPMMKPKZJH-UHFFFAOYSA-N
MW690.85 g/mol
LogP10.68
Rot. Bonds6

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

4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 155203946) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID155203946
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESC1=c2ccccc2=C(c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5ccnc6ccccc56)cc4)n3)cc2)CC1
InChIInChI=1S/C50H34N4/c1-3-13-41-33(9-1)11-7-16-43(41)35-19-25-38(26-20-35)48-52-49(39-27-21-36(22-28-39)44-17-8-12-34-10-2-4-14-42(34)44)54-50(53-48)40-29-23-37(24-30-40)45-31-32-51-47-18-6-5-15-46(45)47/h1-7,9-16,18-32H,8,17H2
InChIKeyMCGXXPMMKPKZJH-UHFFFAOYSA-N
XLogP10.68
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170229900
2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
CID 143986271
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]quinoline
CID 163908541
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
cyclopenta[d][1]benzazepine
CID 90914140
4-[4-[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]-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130265040
4-[4-[4-[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]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 130264401
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
4-[4-[6-phenyl-2-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130264070

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 155203946) is 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is C1=c2ccccc2=C(c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5ccnc6ccccc56)cc4)n3)cc2)CC1.
What is the InChIKey of 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is MCGXXPMMKPKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-3-13-41-33(9-1)11-7-16-43(41)35-19-25-38(26-20-35)48-52-49(39-27-21-36(22-28-39)44-17-8-12-34-10-2-4-14-42(34)44)54-50(53-48)40-29-23-37(24-30-40)45-31-32-51-47-18-6-5-15-46(45)47/h1-7,9-16,18-32H,8,17H2.
What are the key properties of 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 690.85 g/mol, XLogP of 10.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 155203946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).