[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium

C19H18N3+ — CID 3740040

IUPAC[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESNc1ccc(C(=C2C=CC(=[NH2+])C=C2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2/p+1
InChIKeyAFAIELJLZYUNPW-UHFFFAOYSA-O
MW288.37 g/mol
LogP1.98
Rot. Bonds2

About [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium

[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 3740040) has the molecular formula C19H18N3+ and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Name[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID3740040
Molecular FormulaC19H18N3+
Molecular Weight288.37 g/mol
Exact Mass288.15
IUPAC Name[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESNc1ccc(C(=C2C=CC(=[NH2+])C=C2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2/p+1
InChIKeyAFAIELJLZYUNPW-UHFFFAOYSA-O
XLogP1.98
TPSA77.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium (CID 3740040) is [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium is Nc1ccc(C(=C2C=CC(=[NH2+])C=C2)c2ccc(N)cc2)cc1.
What is the InChIKey of [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is AFAIELJLZYUNPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2/p+1.
What are the key properties of [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 288.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 3740040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).