(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium

C26H18N3+ — CID 154692891

IUPAC(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium
SMILESc1cc(/[NH+]=C2\Nc3cccc4cccc2c34)nc(-c2cccc3ccccc23)c1
InChIInChI=1S/C26H17N3/c1-2-11-19-17(7-1)8-3-12-20(19)22-14-6-16-24(27-22)29-26-21-13-4-9-18-10-5-15-23(28-26)25(18)21/h1-16H,(H,27,28,29)/p+1
InChIKeyCTQQPEOWDQQZOB-UHFFFAOYSA-O
MW372.45 g/mol
LogP4.64
Rot. Bonds2

About (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium

(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium (PubChem CID 154692891) has the molecular formula C26H18N3+ and a molecular weight of 372.45 g/mol. Its IUPAC name is (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium.

Molecular Properties

Compound Name(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium
PubChem CID154692891
Molecular FormulaC26H18N3+
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium
SMILESc1cc(/[NH+]=C2\Nc3cccc4cccc2c34)nc(-c2cccc3ccccc23)c1
InChIInChI=1S/C26H17N3/c1-2-11-19-17(7-1)8-3-12-20(19)22-14-6-16-24(27-22)29-26-21-13-4-9-18-10-5-15-23(28-26)25(18)21/h1-16H,(H,27,28,29)/p+1
InChIKeyCTQQPEOWDQQZOB-UHFFFAOYSA-O
XLogP4.64
TPSA38.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium?
The IUPAC name of (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium (CID 154692891) is (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium.
What is the SMILES notation for (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium?
The canonical SMILES for (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium is c1cc(/[NH+]=C2\Nc3cccc4cccc2c34)nc(-c2cccc3ccccc23)c1.
What is the InChIKey of (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium?
The InChIKey is CTQQPEOWDQQZOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H17N3/c1-2-11-19-17(7-1)8-3-12-20(19)22-14-6-16-24(27-22)29-26-21-13-4-9-18-10-5-15-23(28-26)25(18)21/h1-16H,(H,27,28,29)/p+1.
What are the key properties of (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium?
(Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium has a molecular weight of 372.45 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1H-benzo[cd]indol-2-ylidene-(6-naphthalen-1-yl-2-pyridinyl)azanium is sourced from PubChem (CID 154692891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).