2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C48H40N4 — CID 144734293

IUPAC2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(-c2cc(-c3cccc(-c4cccnc4C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc2c(c1CC)CCC=C2
InChIInChI=1S/C48H40N4/c1-4-16-44-41(5-2)43-24-13-12-21-37(43)31-45(44)39-28-38(35-22-14-23-36(27-35)42-25-15-26-49-32(42)3)29-40(30-39)48-51-46(33-17-8-6-9-18-33)50-47(52-48)34-19-10-7-11-20-34/h4,6-12,14-23,25-31H,5,13,24H2,1-3H3/b16-4-
InChIKeyOIVGKRMJPQCKAL-XRVIQIRUSA-N
MW672.88 g/mol
LogP12.13
Rot. Bonds8

About 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144734293) has the molecular formula C48H40N4 and a molecular weight of 672.88 g/mol. Its IUPAC name is 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144734293
Molecular FormulaC48H40N4
Molecular Weight672.88 g/mol
Exact Mass672.33
IUPAC Name2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(-c2cc(-c3cccc(-c4cccnc4C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc2c(c1CC)CCC=C2
InChIInChI=1S/C48H40N4/c1-4-16-44-41(5-2)43-24-13-12-21-37(43)31-45(44)39-28-38(35-22-14-23-36(27-35)42-25-15-26-49-32(42)3)29-40(30-39)48-51-46(33-17-8-6-9-18-33)50-47(52-48)34-19-10-7-11-20-34/h4,6-12,14-23,25-31H,5,13,24H2,1-3H3/b16-4-
InChIKeyOIVGKRMJPQCKAL-XRVIQIRUSA-N
XLogP12.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]-5-[4-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734460
2-[3-[3-[(Z)-but-1-enyl]-4-methylphenyl]-5-(2-methyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734388
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734254
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734393
butane;2-[3-(5,6-dihydronaphthalen-2-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734508
2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 144775601
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenanthren-9-ylphenyl)phenyl]phenyl]-7,8-dihydroquinoline;sulfane
CID 144989649
ethane;2-[3-[9-methyl-10-[(Z)-prop-1-enyl]-7,8-dihydrophenanthren-3-yl]phenyl]-4,6-diphenylpyrimidine
CID 145193778
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144775617
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[6-ethyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]phenyl]quinoline
CID 144775720

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 144734293) is 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is C/C=C\c1c(-c2cc(-c3cccc(-c4cccnc4C)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc2c(c1CC)CCC=C2.
What is the InChIKey of 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OIVGKRMJPQCKAL-XRVIQIRUSA-N. The full InChI is InChI=1S/C48H40N4/c1-4-16-44-41(5-2)43-24-13-12-21-37(43)31-45(44)39-28-38(35-22-14-23-36(27-35)42-25-15-26-49-32(42)3)29-40(30-39)48-51-46(33-17-8-6-9-18-33)50-47(52-48)34-19-10-7-11-20-34/h4,6-12,14-23,25-31H,5,13,24H2,1-3H3/b16-4-.
What are the key properties of 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 672.88 g/mol, XLogP of 12.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144734293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).