2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine

C37H28N6 — CID 130371256

IUPAC2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESC[C@@H]1N=CC=CC1c1cccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1
InChIInChI=1S/C37H28N6/c1-25-34(16-7-19-40-25)28-10-4-13-31(22-28)37-42-35(29-11-2-8-26(20-29)32-14-5-17-38-23-32)41-36(43-37)30-12-3-9-27(21-30)33-15-6-18-39-24-33/h2-25,34H,1H3/t25-,34?/m0/s1
InChIKeyBFTNMPSANMUCFV-VOTTXDMFSA-N
MW556.67 g/mol
LogP8.11
Rot. Bonds6

About 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine

2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 130371256) has the molecular formula C37H28N6 and a molecular weight of 556.67 g/mol. Its IUPAC name is 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID130371256
Molecular FormulaC37H28N6
Molecular Weight556.67 g/mol
Exact Mass556.24
IUPAC Name2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESC[C@@H]1N=CC=CC1c1cccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1
InChIInChI=1S/C37H28N6/c1-25-34(16-7-19-40-25)28-10-4-13-31(22-28)37-42-35(29-11-2-8-26(20-29)32-14-5-17-38-23-32)41-36(43-37)30-12-3-9-27(21-30)33-15-6-18-39-24-33/h2-25,34H,1H3/t25-,34?/m0/s1
InChIKeyBFTNMPSANMUCFV-VOTTXDMFSA-N
XLogP8.11
TPSA76.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-2,3-dihydropyridin-3-yl)-5-pyridin-3-ylaniline
CID 167246929
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
2-[3-(3,5-dicyclohexylphenyl)phenyl]-4-(3-pyridin-3-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 164834095
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine (CID 130371256) is 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine is C[C@@H]1N=CC=CC1c1cccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cccnc4)c3)n2)c1.
What is the InChIKey of 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is BFTNMPSANMUCFV-VOTTXDMFSA-N. The full InChI is InChI=1S/C37H28N6/c1-25-34(16-7-19-40-25)28-10-4-13-31(22-28)37-42-35(29-11-2-8-26(20-29)32-14-5-17-38-23-32)41-36(43-37)30-12-3-9-27(21-30)33-15-6-18-39-24-33/h2-25,34H,1H3/t25-,34?/m0/s1.
What are the key properties of 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine?
2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 556.67 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-methyl-2,3-dihydropyridin-3-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130371256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).