2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine

C37H30N2O2 — CID 19366348

IUPAC2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine
SMILESCOc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C37H30N2O2/c1-40-32-22-18-27(19-23-32)34-26-35(39(30-14-8-4-9-15-30)31-16-10-5-11-17-31)36(28-12-6-3-7-13-28)37(38-34)29-20-24-33(41-2)25-21-29/h3-26H,1-2H3
InChIKeyMQSPQJYWJZLRHF-UHFFFAOYSA-N
MW534.66 g/mol
LogP9.57
Rot. Bonds8

About 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine

2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine (PubChem CID 19366348) has the molecular formula C37H30N2O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine
PubChem CID19366348
Molecular FormulaC37H30N2O2
Molecular Weight534.66 g/mol
Exact Mass534.23
IUPAC Name2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine
SMILESCOc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C37H30N2O2/c1-40-32-22-18-27(19-23-32)34-26-35(39(30-14-8-4-9-15-30)31-16-10-5-11-17-31)36(28-12-6-3-7-13-28)37(38-34)29-20-24-33(41-2)25-21-29/h3-26H,1-2H3
InChIKeyMQSPQJYWJZLRHF-UHFFFAOYSA-N
XLogP9.57
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine (CID 19366348) is 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine is COc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine?
The InChIKey is MQSPQJYWJZLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O2/c1-40-32-22-18-27(19-23-32)34-26-35(39(30-14-8-4-9-15-30)31-16-10-5-11-17-31)36(28-12-6-3-7-13-28)37(38-34)29-20-24-33(41-2)25-21-29/h3-26H,1-2H3.
What are the key properties of 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine?
2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine has a molecular weight of 534.66 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-N,N,3-triphenylpyridin-4-amine is sourced from PubChem (CID 19366348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).