4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline

C48H33N7 — CID 122435797

IUPAC4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline
SMILESc1ccc(-c2ncccc2-c2ccc(N(c3ccc(-c4cccnc4-c4ccccn4)cc3)c3ccc(-c4cccnc4-c4ccccn4)cc3)cc2)nc1
InChIInChI=1S/C48H33N7/c1-4-28-49-43(13-1)46-40(10-7-31-52-46)34-16-22-37(23-17-34)55(38-24-18-35(19-25-38)41-11-8-32-53-47(41)44-14-2-5-29-50-44)39-26-20-36(21-27-39)42-12-9-33-54-48(42)45-15-3-6-30-51-45/h1-33H
InChIKeyDATZCERSEHZKGU-UHFFFAOYSA-N
MW707.84 g/mol
LogP11.53
Rot. Bonds9

About 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline

4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline (PubChem CID 122435797) has the molecular formula C48H33N7 and a molecular weight of 707.84 g/mol. Its IUPAC name is 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline
PubChem CID122435797
Molecular FormulaC48H33N7
Molecular Weight707.84 g/mol
Exact Mass707.28
IUPAC Name4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline
SMILESc1ccc(-c2ncccc2-c2ccc(N(c3ccc(-c4cccnc4-c4ccccn4)cc3)c3ccc(-c4cccnc4-c4ccccn4)cc3)cc2)nc1
InChIInChI=1S/C48H33N7/c1-4-28-49-43(13-1)46-40(10-7-31-52-46)34-16-22-37(23-17-34)55(38-24-18-35(19-25-38)41-11-8-32-53-47(41)44-14-2-5-29-50-44)39-26-20-36(21-27-39)42-12-9-33-54-48(42)45-15-3-6-30-51-45/h1-33H
InChIKeyDATZCERSEHZKGU-UHFFFAOYSA-N
XLogP11.53
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.84
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline?
The IUPAC name of 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline (CID 122435797) is 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline.
What is the SMILES notation for 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline?
The canonical SMILES for 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline is c1ccc(-c2ncccc2-c2ccc(N(c3ccc(-c4cccnc4-c4ccccn4)cc3)c3ccc(-c4cccnc4-c4ccccn4)cc3)cc2)nc1.
What is the InChIKey of 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline?
The InChIKey is DATZCERSEHZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N7/c1-4-28-49-43(13-1)46-40(10-7-31-52-46)34-16-22-37(23-17-34)55(38-24-18-35(19-25-38)41-11-8-32-53-47(41)44-14-2-5-29-50-44)39-26-20-36(21-27-39)42-12-9-33-54-48(42)45-15-3-6-30-51-45/h1-33H.
What are the key properties of 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline?
4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline has a molecular weight of 707.84 g/mol, XLogP of 11.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-yl-3-pyridinyl)-N,N-bis[4-(2-pyridin-2-yl-3-pyridinyl)phenyl]aniline is sourced from PubChem (CID 122435797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).