2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline

C47H37N5 — CID 142621951

IUPAC2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline
SMILESC/C(=C\c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccccn5)c4)=N3)cc2)cc1N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H37N5/c1-32(33-18-20-35(21-19-33)34-11-4-2-5-12-34)29-40-27-26-39(31-43(40)48)36-22-24-38(25-23-36)46-50-45(37-13-6-3-7-14-37)51-47(52-46)42-16-10-15-41(30-42)44-17-8-9-28-49-44/h2-31,45H,48H2,1H3,(H,50,51,52)/b32-29+
InChIKeyKZUIVVCXMDDQIF-UUDCSCGESA-N
MW671.85 g/mol
LogP10.72
Rot. Bonds8

About 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline

2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline (PubChem CID 142621951) has the molecular formula C47H37N5 and a molecular weight of 671.85 g/mol. Its IUPAC name is 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline
PubChem CID142621951
Molecular FormulaC47H37N5
Molecular Weight671.85 g/mol
Exact Mass671.30
IUPAC Name2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline
SMILESC/C(=C\c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccccn5)c4)=N3)cc2)cc1N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H37N5/c1-32(33-18-20-35(21-19-33)34-11-4-2-5-12-34)29-40-27-26-39(31-43(40)48)36-22-24-38(25-23-36)46-50-45(37-13-6-3-7-14-37)51-47(52-46)42-16-10-15-41(30-42)44-17-8-9-28-49-44/h2-31,45H,48H2,1H3,(H,50,51,52)/b32-29+
InChIKeyKZUIVVCXMDDQIF-UUDCSCGESA-N
XLogP10.72
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.85
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145179732
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 155484704
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]phenyl]-4,9-diphenyl-1,10-phenanthroline
CID 163755710
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-3,4-dihydroquinazoline
CID 136969389
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 165010205
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
CID 137222615

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline?
The IUPAC name of 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline (CID 142621951) is 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline.
What is the SMILES notation for 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline?
The canonical SMILES for 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline is C/C(=C\c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccccn5)c4)=N3)cc2)cc1N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline?
The InChIKey is KZUIVVCXMDDQIF-UUDCSCGESA-N. The full InChI is InChI=1S/C47H37N5/c1-32(33-18-20-35(21-19-33)34-11-4-2-5-12-34)29-40-27-26-39(31-43(40)48)36-22-24-38(25-23-36)46-50-45(37-13-6-3-7-14-37)51-47(52-46)42-16-10-15-41(30-42)44-17-8-9-28-49-44/h2-31,45H,48H2,1H3,(H,50,51,52)/b32-29+.
What are the key properties of 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline?
2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline has a molecular weight of 671.85 g/mol, XLogP of 10.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline is sourced from PubChem (CID 142621951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).