10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine

C38H22F4N2 — CID 122413654

IUPAC10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine
SMILESFc1cc(F)cc(N2c3ccccc3C(=C3c4ccccc4N(c4cc(F)cc(F)c4)c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C38H22F4N2/c39-23-17-24(40)20-27(19-23)43-33-13-5-1-9-29(33)37(30-10-2-6-14-34(30)43)38-31-11-3-7-15-35(31)44(36-16-8-4-12-32(36)38)28-21-25(41)18-26(42)22-28/h1-22H
InChIKeyCERWKZNNSRSFEL-UHFFFAOYSA-N
MW582.60 g/mol
LogP10.82
Rot. Bonds2

About 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine

10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine (PubChem CID 122413654) has the molecular formula C38H22F4N2 and a molecular weight of 582.60 g/mol. Its IUPAC name is 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine.

Molecular Properties

Compound Name10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine
PubChem CID122413654
Molecular FormulaC38H22F4N2
Molecular Weight582.60 g/mol
Exact Mass582.17
IUPAC Name10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine
SMILESFc1cc(F)cc(N2c3ccccc3C(=C3c4ccccc4N(c4cc(F)cc(F)c4)c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C38H22F4N2/c39-23-17-24(40)20-27(19-23)43-33-13-5-1-9-29(33)37(30-10-2-6-14-34(30)43)38-31-11-3-7-15-35(31)44(36-16-8-4-12-32(36)38)28-21-25(41)18-26(42)22-28/h1-22H
InChIKeyCERWKZNNSRSFEL-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.60
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine?
The IUPAC name of 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine (CID 122413654) is 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine.
What is the SMILES notation for 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine?
The canonical SMILES for 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine is Fc1cc(F)cc(N2c3ccccc3C(=C3c4ccccc4N(c4cc(F)cc(F)c4)c4ccccc43)c3ccccc32)c1.
What is the InChIKey of 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine?
The InChIKey is CERWKZNNSRSFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4N2/c39-23-17-24(40)20-27(19-23)43-33-13-5-1-9-29(33)37(30-10-2-6-14-34(30)43)38-31-11-3-7-15-35(31)44(36-16-8-4-12-32(36)38)28-21-25(41)18-26(42)22-28/h1-22H.
What are the key properties of 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine?
10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine has a molecular weight of 582.60 g/mol, XLogP of 10.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-difluorophenyl)-9-[10-(3,5-difluorophenyl)acridin-9-ylidene]acridine is sourced from PubChem (CID 122413654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).