[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine

C44H30N4 — CID 166964827

IUPAC[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H30N4/c45-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-28-39(41-14-8-7-13-40(38)41)34-23-25-37(26-24-34)44-47-42(35-9-3-1-4-10-35)46-43(48-44)36-11-5-2-6-12-36/h1-29,45H/b45-29+
InChIKeyDJPFZZVDMLHVRM-RBFPZZGSSA-N
MW614.75 g/mol
LogP11.02
Rot. Bonds7

About [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine

[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine (PubChem CID 166964827) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine
PubChem CID166964827
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H30N4/c45-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-28-39(41-14-8-7-13-40(38)41)34-23-25-37(26-24-34)44-47-42(35-9-3-1-4-10-35)46-43(48-44)36-11-5-2-6-12-36/h1-29,45H/b45-29+
InChIKeyDJPFZZVDMLHVRM-RBFPZZGSSA-N
XLogP11.02
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;(4-phenylphenyl)methanimine;[4-(3-phenylphenyl)phenyl]methanimine;[4-[3-(3-phenylphenyl)phenyl]phenyl]methanimine;[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine
CID 167704574
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2,4-diphenyl-6-[4-[4-(3,5,6-triphenylpyrazin-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 156562540
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
CID 145327274
CID 145327274
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine?
The IUPAC name of [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine (CID 166964827) is [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine.
What is the SMILES notation for [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine?
The canonical SMILES for [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine is [H]/N=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine?
The InChIKey is DJPFZZVDMLHVRM-RBFPZZGSSA-N. The full InChI is InChI=1S/C44H30N4/c45-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-28-39(41-14-8-7-13-40(38)41)34-23-25-37(26-24-34)44-47-42(35-9-3-1-4-10-35)46-43(48-44)36-11-5-2-6-12-36/h1-29,45H/b45-29+.
What are the key properties of [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine?
[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine has a molecular weight of 614.75 g/mol, XLogP of 11.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine is sourced from PubChem (CID 166964827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).