3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]

C29H17IN2 — CID 141247349

IUPAC3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]
SMILESIc1ccc(C2=NN=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)cc1
InChIInChI=1S/C29H17IN2/c30-21-13-11-18(12-14-21)28-29(26-17-20-7-2-4-9-23(20)27(26)31-32-28)15-5-10-24-22-8-3-1-6-19(22)16-25(24)29/h1-17H
InChIKeyLHYUSFATALSKOL-UHFFFAOYSA-N
MW520.37 g/mol
LogP6.93
Rot. Bonds1

About 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]

3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine] (PubChem CID 141247349) has the molecular formula C29H17IN2 and a molecular weight of 520.37 g/mol. Its IUPAC name is 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine].

Molecular Properties

Compound Name3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]
PubChem CID141247349
Molecular FormulaC29H17IN2
Molecular Weight520.37 g/mol
Exact Mass520.04
IUPAC Name3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]
SMILESIc1ccc(C2=NN=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)cc1
InChIInChI=1S/C29H17IN2/c30-21-13-11-18(12-14-21)28-29(26-17-20-7-2-4-9-23(20)27(26)31-32-28)15-5-10-24-22-8-3-1-6-19(22)16-25(24)29/h1-17H
InChIKeyLHYUSFATALSKOL-UHFFFAOYSA-N
XLogP6.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.37
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]?
The IUPAC name of 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine] (CID 141247349) is 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine].
What is the SMILES notation for 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]?
The canonical SMILES for 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine] is Ic1ccc(C2=NN=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)cc1.
What is the InChIKey of 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]?
The InChIKey is LHYUSFATALSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17IN2/c30-21-13-11-18(12-14-21)28-29(26-17-20-7-2-4-9-23(20)27(26)31-32-28)15-5-10-24-22-8-3-1-6-19(22)16-25(24)29/h1-17H.
What are the key properties of 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine]?
3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine] has a molecular weight of 520.37 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-iodophenyl)spiro[fluorene-1,4'-indeno[1,2-c]pyridazine] is sourced from PubChem (CID 141247349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).