10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one

C47H32N2O — CID 91612597

IUPAC10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(C=Cc3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C47H32N2O/c50-47-41-11-3-7-15-45(41)49(46-16-8-4-12-42(46)47)38-31-27-36(28-32-38)24-22-34-19-17-33(18-20-34)21-23-35-25-29-37(30-26-35)48-43-13-5-1-9-39(43)40-10-2-6-14-44(40)48/h1-32H
InChIKeySTYIPVLVBWXAFC-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.58
Rot. Bonds6

About 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one

10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one (PubChem CID 91612597) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
PubChem CID91612597
Molecular FormulaC47H32N2O
Molecular Weight640.79 g/mol
Exact Mass640.25
IUPAC Name10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(C=Cc3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C47H32N2O/c50-47-41-11-3-7-15-45(41)49(46-16-8-4-12-42(46)47)38-31-27-36(28-32-38)24-22-34-19-17-33(18-20-34)21-23-35-25-29-37(30-26-35)48-43-13-5-1-9-39(43)40-10-2-6-14-44(40)48/h1-32H
InChIKeySTYIPVLVBWXAFC-UHFFFAOYSA-N
XLogP11.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
CID 76557056
9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
CID 118027278
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one?
The IUPAC name of 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one (CID 91612597) is 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one.
What is the SMILES notation for 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one?
The canonical SMILES for 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one is O=c1c2ccccc2n(-c2ccc(C=Cc3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)c2ccccc12.
What is the InChIKey of 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one?
The InChIKey is STYIPVLVBWXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c50-47-41-11-3-7-15-45(41)49(46-16-8-4-12-42(46)47)38-31-27-36(28-32-38)24-22-34-19-17-33(18-20-34)21-23-35-25-29-37(30-26-35)48-43-13-5-1-9-39(43)40-10-2-6-14-44(40)48/h1-32H.
What are the key properties of 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one?
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one has a molecular weight of 640.79 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one is sourced from PubChem (CID 91612597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).