3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine

C32H31N5 — CID 143250733

IUPAC3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine
SMILESCNc1cc(NC)c(NC)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)c1N
InChIInChI=1S/C32H31N5/c1-34-28-20-29(35-2)32(36-3)30(31(28)33)24-16-14-21(15-17-24)25-18-26(22-10-6-4-7-11-22)37-27(19-25)23-12-8-5-9-13-23/h4-20,34-36H,33H2,1-3H3
InChIKeyMJLLDKZUQKXNQT-UHFFFAOYSA-N
MW485.64 g/mol
LogP7.46
Rot. Bonds7

About 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine

3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine (PubChem CID 143250733) has the molecular formula C32H31N5 and a molecular weight of 485.64 g/mol. Its IUPAC name is 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine
PubChem CID143250733
Molecular FormulaC32H31N5
Molecular Weight485.64 g/mol
Exact Mass485.26
IUPAC Name3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine
SMILESCNc1cc(NC)c(NC)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)c1N
InChIInChI=1S/C32H31N5/c1-34-28-20-29(35-2)32(36-3)30(31(28)33)24-16-14-21(15-17-24)25-18-26(22-10-6-4-7-11-22)37-27(19-25)23-12-8-5-9-13-23/h4-20,34-36H,33H2,1-3H3
InChIKeyMJLLDKZUQKXNQT-UHFFFAOYSA-N
XLogP7.46
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 57.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine with MolForge

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Related Compounds

4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 71075915
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine?
The IUPAC name of 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine (CID 143250733) is 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine.
What is the SMILES notation for 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine?
The canonical SMILES for 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine is CNc1cc(NC)c(NC)c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)c1N.
What is the InChIKey of 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine?
The InChIKey is MJLLDKZUQKXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5/c1-34-28-20-29(35-2)32(36-3)30(31(28)33)24-16-14-21(15-17-24)25-18-26(22-10-6-4-7-11-22)37-27(19-25)23-12-8-5-9-13-23/h4-20,34-36H,33H2,1-3H3.
What are the key properties of 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine?
3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine has a molecular weight of 485.64 g/mol, XLogP of 7.46, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1-N,2-N,5-N-trimethylbenzene-1,2,4,5-tetramine is sourced from PubChem (CID 143250733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).