N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine

C38H29N5 — CID 134384412

IUPACN-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(/C)c1ccccn1)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C38H29N5/c1-27(34-18-9-10-25-40-34)19-24-35(39-2)33-17-11-16-32(26-33)28-20-22-31(23-21-28)38-42-36(29-12-5-3-6-13-29)41-37(43-38)30-14-7-4-8-15-30/h3-26H,2H2,1H3/b27-19+,35-24-
InChIKeyNDJJPOQTCQJNTR-HESDOMHKSA-N
MW555.69 g/mol
LogP9.08
Rot. Bonds8

About N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine (PubChem CID 134384412) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine
PubChem CID134384412
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC NameN-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(/C)c1ccccn1)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C38H29N5/c1-27(34-18-9-10-25-40-34)19-24-35(39-2)33-17-11-16-32(26-33)28-20-22-31(23-21-28)38-42-36(29-12-5-3-6-13-29)41-37(43-38)30-14-7-4-8-15-30/h3-26H,2H2,1H3/b27-19+,35-24-
InChIKeyNDJJPOQTCQJNTR-HESDOMHKSA-N
XLogP9.08
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pyridin-3-ylpenta-1,3-dienyl]methanimine
CID 166789044
2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine
CID 145174488
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
3-phenyl-N-[(3E,5E)-6-(3-phenylphenyl)hepta-1,3,5-trien-3-yl]aniline
CID 139294862
2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
CID 142986451
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]pyridine
CID 88984684
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine (CID 134384412) is N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine is C=N/C(=C\C=C(/C)c1ccccn1)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine?
The InChIKey is NDJJPOQTCQJNTR-HESDOMHKSA-N. The full InChI is InChI=1S/C38H29N5/c1-27(34-18-9-10-25-40-34)19-24-35(39-2)33-17-11-16-32(26-33)28-20-22-31(23-21-28)38-42-36(29-12-5-3-6-13-29)41-37(43-38)30-14-7-4-8-15-30/h3-26H,2H2,1H3/b27-19+,35-24-.
What are the key properties of N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine has a molecular weight of 555.69 g/mol, XLogP of 9.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 134384412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).