2-N,6-N-ditritylpyridine-2,6-diamine

C43H35N3 — CID 164683198

IUPAC2-N,6-N-ditritylpyridine-2,6-diamine
SMILESc1ccc(C(Nc2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H35N3/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-33H,(H2,44,45,46)
InChIKeySSHOPDJPSVGHIL-UHFFFAOYSA-N
MW593.77 g/mol
LogP9.89
Rot. Bonds10

About 2-N,6-N-ditritylpyridine-2,6-diamine

2-N,6-N-ditritylpyridine-2,6-diamine (PubChem CID 164683198) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 2-N,6-N-ditritylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-ditritylpyridine-2,6-diamine
PubChem CID164683198
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name2-N,6-N-ditritylpyridine-2,6-diamine
SMILESc1ccc(C(Nc2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H35N3/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-33H,(H2,44,45,46)
InChIKeySSHOPDJPSVGHIL-UHFFFAOYSA-N
XLogP9.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
1-(3-Cyano-4,6-diphenyl-2-pyridinyl)-3-phenylthiourea
CID 118730799
N,3-dibenzyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
CID 118736629
N,4,6-triphenylpyrimidin-2-amine
CID 629517
N-Phenethyl-N''''-((S)-1-phenyl-ethyl)-pyridine-2,6-diamine
CID 44393056
5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 164620536
N-(1-adamantyl)-4,6-dimethylpyridin-2-amine
CID 9813781
N-(1-adamantyl)-4-methylpyridin-2-amine
CID 9834691
N-(1-adamantyl)-5-methylpyridin-2-amine
CID 9878104
2-(1-Adamantylamino)-6-methylpyridine
CID 10131023
6-Methyl-2-(3-methylanilino)-5-phenylpyridine-3-carbonitrile
CID 164912200

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-ditritylpyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-ditritylpyridine-2,6-diamine (CID 164683198) is 2-N,6-N-ditritylpyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-ditritylpyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-ditritylpyridine-2,6-diamine is c1ccc(C(Nc2cccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-N,6-N-ditritylpyridine-2,6-diamine?
The InChIKey is SSHOPDJPSVGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-7-20-34(21-8-1)42(35-22-9-2-10-23-35,36-24-11-3-12-25-36)45-40-32-19-33-41(44-40)46-43(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-33H,(H2,44,45,46).
What are the key properties of 2-N,6-N-ditritylpyridine-2,6-diamine?
2-N,6-N-ditritylpyridine-2,6-diamine has a molecular weight of 593.77 g/mol, XLogP of 9.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-ditritylpyridine-2,6-diamine is sourced from PubChem (CID 164683198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).