4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine

C25H17N3 — CID 145117365

IUPAC4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1/C=C(c2c3ccccc3c(-c3cccnc3)c3ccccc23)C=C/C1=N\[H]
InChIInChI=1S/C25H17N3/c26-22-12-11-16(14-23(22)27)24-18-7-1-3-9-20(18)25(17-6-5-13-28-15-17)21-10-4-2-8-19(21)24/h1-15,26-27H/b26-22+,27-23-
InChIKeyALYZDVSUTPHNGF-FLPXOHCLSA-N
MW359.43 g/mol
LogP6.05
Rot. Bonds2

About 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine

4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine (PubChem CID 145117365) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
PubChem CID145117365
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1/C=C(c2c3ccccc3c(-c3cccnc3)c3ccccc23)C=C/C1=N\[H]
InChIInChI=1S/C25H17N3/c26-22-12-11-16(14-23(22)27)24-18-7-1-3-9-20(18)25(17-6-5-13-28-15-17)21-10-4-2-8-19(21)24/h1-15,26-27H/b26-22+,27-23-
InChIKeyALYZDVSUTPHNGF-FLPXOHCLSA-N
XLogP6.05
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(6-imino-4-pyridin-3-ylcyclohexa-2,4-dien-1-ylidene)amino]-3-(10-pyridin-3-ylanthracen-9-yl)aniline
CID 137276701
N-[[4-(9,10-diphenylanthracen-2-yl)-6-iminocyclohexa-2,4-dien-1-ylidene]amino]-4-(10-pyridin-3-ylanthracen-9-yl)aniline
CID 148613161
N-[(Z)-[6-imino-4-[4-(10-phenylanthracen-9-yl)phenyl]cyclohexa-2,4-dien-1-ylidene]amino]-3-pyridin-3-ylaniline
CID 172986345
N-[(Z)-[6-imino-4-[3-(10-phenylanthracen-9-yl)phenyl]cyclohexa-2,4-dien-1-ylidene]amino]-3-pyridin-3-ylaniline
CID 172987066
N-[(Z)-[6-imino-4-[3-(10-phenylanthracen-9-yl)phenyl]cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-3-ylaniline
CID 137143694
N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine
CID 145117399
N-[(Z)-[6-imino-2,4-bis(10-phenylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-3-ylaniline
CID 136629206
4-(9,10-diphenylanthracen-2-yl)cyclohexa-3,5-diene-1,2-diimine;4-isoquinolin-4-ylnaphthalen-1-amine
CID 145117433
[[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]-(3-pyridin-4-ylphenyl)azanium
CID 163911777
4-(9,10-diphenylanthracen-2-yl)cyclohexa-3,5-diene-1,2-diimine;4-quinolin-3-ylaniline
CID 145117344
N-[(Z)-[4-(9,10-diphenylanthracen-2-yl)-6-iminocyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-4-ylaniline
CID 137245602
N-[(Z)-[6-imino-4-(10-naphthalen-1-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-4-ylaniline
CID 172986328

Frequently Asked Questions

What is the IUPAC name of 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine (CID 145117365) is 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine is [H]/N=C1/C=C(c2c3ccccc3c(-c3cccnc3)c3ccccc23)C=C/C1=N\[H].
What is the InChIKey of 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is ALYZDVSUTPHNGF-FLPXOHCLSA-N. The full InChI is InChI=1S/C25H17N3/c26-22-12-11-16(14-23(22)27)24-18-7-1-3-9-20(18)25(17-6-5-13-28-15-17)21-10-4-2-8-19(21)24/h1-15,26-27H/b26-22+,27-23-.
What are the key properties of 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine?
4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 359.43 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 145117365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).