N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine

C34H28N4 — CID 90070851

IUPACN-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cccc(Nc4cccc(-c5ccccc5)n4)n3)cc2)C=C1
InChIInChI=1S/C34H28N4/c1-4-12-26(13-5-1)31-18-10-20-33(35-31)37-34-21-11-19-32(36-34)27-22-24-30(25-23-27)38(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-16,18-25,29H,17H2,(H,35,36,37)
InChIKeySPSAVCPUYQJCBO-UHFFFAOYSA-N
MW492.63 g/mol
LogP8.58
Rot. Bonds7

About N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine

N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine (PubChem CID 90070851) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
PubChem CID90070851
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC NameN-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
SMILESC1=CCC(N(c2ccccc2)c2ccc(-c3cccc(Nc4cccc(-c5ccccc5)n4)n3)cc2)C=C1
InChIInChI=1S/C34H28N4/c1-4-12-26(13-5-1)31-18-10-20-33(35-31)37-34-21-11-19-32(36-34)27-22-24-30(25-23-27)38(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-16,18-25,29H,17H2,(H,35,36,37)
InChIKeySPSAVCPUYQJCBO-UHFFFAOYSA-N
XLogP8.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine?
The IUPAC name of N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine (CID 90070851) is N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine.
What is the SMILES notation for N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine?
The canonical SMILES for N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine is C1=CCC(N(c2ccccc2)c2ccc(-c3cccc(Nc4cccc(-c5ccccc5)n4)n3)cc2)C=C1.
What is the InChIKey of N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine?
The InChIKey is SPSAVCPUYQJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4/c1-4-12-26(13-5-1)31-18-10-20-33(35-31)37-34-21-11-19-32(36-34)27-22-24-30(25-23-27)38(28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-16,18-25,29H,17H2,(H,35,36,37).
What are the key properties of N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine?
N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine has a molecular weight of 492.63 g/mol, XLogP of 8.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine is sourced from PubChem (CID 90070851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).