(6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

C34H24N2O2 — CID 10951972

About (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

(6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 10951972) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
• PubChem CID: 10951972
• Molecular Formula: C34H24N2O2
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.18
• IUPAC Name: (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
• SMILES: O=C1C=CC=C/C1=C/Nc1ccc2ccccc2c1-c1c(N/C=C2/C=CC=CC2=O)ccc2ccccc12
• InChI: InChI=1S/C34H24N2O2/c37-31-15-7-3-11-25(31)21-35-29-19-17-23-9-1-5-13-27(23)33(29)34-28-14-6-2-10-24(28)18-20-30(34)36-22-26-12-4-8-16-32(26)38/h1-22,35-36H/b25-21-,26-22-
• InChIKey: AISZDVKGFUZXLJ-ORFRIDJFSA-N
• XLogP: 7.64
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 10951972) is (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.

What is the SMILES notation for (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The canonical SMILES for (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/Nc1ccc2ccccc2c1-c1c(N/C=C2/C=CC=CC2=O)ccc2ccccc12.

What is the InChIKey of (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The InChIKey is AISZDVKGFUZXLJ-ORFRIDJFSA-N. The full InChI is InChI=1S/C34H24N2O2/c37-31-15-7-3-11-25(31)21-35-29-19-17-23-9-1-5-13-27(23)33(29)34-28-14-6-2-10-24(28)18-20-30(34)36-22-26-12-4-8-16-32(26)38/h1-22,35-36H/b25-21-,26-22-.

What are the key properties of (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

(6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 492.58 g/mol, XLogP of 7.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[[[1-[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).