CID 13422438

C23H24Cl4I2N2 — CID 13422438

IUPAC—
SMILESCl[I-]Cl.Cl[I-]Cl.c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C23H24N2.2Cl2I/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;2*1-3-2/h2-5,8-15,18-19H,1,6-7,16-17H2;;/q+2;2*-1
InChIKeyBQCXKXZSARPFOR-UHFFFAOYSA-N
MW724.08 g/mol
LogP1.20
Rot. Bonds6

About CID 13422438

CID 13422438 (PubChem CID 13422438) has the molecular formula C23H24Cl4I2N2 and a molecular weight of 724.08 g/mol.

Molecular Properties

Compound NameCID 13422438
PubChem CID13422438
Molecular FormulaC23H24Cl4I2N2
Molecular Weight724.08 g/mol
Exact Mass721.88
IUPAC Name—
SMILESCl[I-]Cl.Cl[I-]Cl.c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C23H24N2.2Cl2I/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;2*1-3-2/h2-5,8-15,18-19H,1,6-7,16-17H2;;/q+2;2*-1
InChIKeyBQCXKXZSARPFOR-UHFFFAOYSA-N
XLogP1.20
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
1-(8-pyridin-1-ium-1-yloctyl)quinolin-1-ium
CID 72724908
1-(2-quinolin-1-ium-1-ylethyl)quinolin-1-ium dibromide
CID 53422079
1-[3-[4-[4-(3-quinolin-1-ium-1-ylpropyl)phenyl]phenyl]propyl]quinolin-1-ium
CID 72721562
1-(2-chloroethyl)quinolin-1-ium perchlorate
CID 44887346
4-quinolin-1-ium-1-ylbutyl acetate
CID 68782899
1-[(E)-4-quinolin-1-ium-1-ylbut-2-enyl]quinolin-1-ium dibromide
CID 54580374
1-[5-[3-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide
CID 24743102
1-(2,3-dichloropropyl)quinolin-1-ium
CID 3284272
1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
CID 138811091
1-[5-[3-(5-isoquinolin-2-ium-2-ylpent-1-ynyl)-5-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium tribromide
CID 46851523

Frequently Asked Questions

What is the IUPAC name of CID 13422438?
The IUPAC name of CID 13422438 (CID 13422438) is not available.
What is the SMILES notation for CID 13422438?
The canonical SMILES for CID 13422438 is Cl[I-]Cl.Cl[I-]Cl.c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21.
What is the InChIKey of CID 13422438?
The InChIKey is BQCXKXZSARPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2.2Cl2I/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;2*1-3-2/h2-5,8-15,18-19H,1,6-7,16-17H2;;/q+2;2*-1.
What are the key properties of CID 13422438?
CID 13422438 has a molecular weight of 724.08 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13422438 is sourced from PubChem (CID 13422438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).