10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline

C38H22BrN — CID 118003278

IUPAC10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21
InChIInChI=1S/C38H22BrN/c39-26-17-19-31-29-10-2-4-13-33(29)38(35(31)22-26)32-12-3-1-9-28(32)30-18-16-25(21-34(30)38)27-11-5-7-23-14-15-24-8-6-20-40-37(24)36(23)27/h1-22H
InChIKeyBKYRDWFOPXJQPA-UHFFFAOYSA-N
MW572.51 g/mol
LogP10.16
Rot. Bonds1

About 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline

10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline (PubChem CID 118003278) has the molecular formula C38H22BrN and a molecular weight of 572.51 g/mol. Its IUPAC name is 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline
PubChem CID118003278
Molecular FormulaC38H22BrN
Molecular Weight572.51 g/mol
Exact Mass571.09
IUPAC Name10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21
InChIInChI=1S/C38H22BrN/c39-26-17-19-31-29-10-2-4-13-33(29)38(35(31)22-26)32-12-3-1-9-28(32)30-18-16-25(21-34(30)38)27-11-5-7-23-14-15-24-8-6-20-40-37(24)36(23)27/h1-22H
InChIKeyBKYRDWFOPXJQPA-UHFFFAOYSA-N
XLogP10.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.51
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline?
The IUPAC name of 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline (CID 118003278) is 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline?
The canonical SMILES for 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3cccc4ccc5cccnc5c34)cc21.
What is the InChIKey of 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline?
The InChIKey is BKYRDWFOPXJQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22BrN/c39-26-17-19-31-29-10-2-4-13-33(29)38(35(31)22-26)32-12-3-1-9-28(32)30-18-16-25(21-34(30)38)27-11-5-7-23-14-15-24-8-6-20-40-37(24)36(23)27/h1-22H.
What are the key properties of 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline?
10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline has a molecular weight of 572.51 g/mol, XLogP of 10.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)benzo[h]quinoline is sourced from PubChem (CID 118003278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).