(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one

C32H22O2 — CID 6221715

IUPAC(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c2ccccc2c(C(=O)/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C32H22O2/c33-29(21-19-23-11-3-1-4-12-23)31-25-15-7-9-17-27(25)32(28-18-10-8-16-26(28)31)30(34)22-20-24-13-5-2-6-14-24/h1-22H/b21-19+,22-20+
InChIKeyJVBVMKLKLIKKSP-FLFKKZLDSA-N
MW438.53 g/mol
LogP7.79
Rot. Bonds6

About (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one

(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one (PubChem CID 6221715) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
PubChem CID6221715
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c2ccccc2c(C(=O)/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C32H22O2/c33-29(21-19-23-11-3-1-4-12-23)31-25-15-7-9-17-27(25)32(28-18-10-8-16-26(28)31)30(34)22-20-24-13-5-2-6-14-24/h1-22H/b21-19+,22-20+
InChIKeyJVBVMKLKLIKKSP-FLFKKZLDSA-N
XLogP7.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 132536610
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one (CID 6221715) is (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1c2ccccc2c(C(=O)/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one?
The InChIKey is JVBVMKLKLIKKSP-FLFKKZLDSA-N. The full InChI is InChI=1S/C32H22O2/c33-29(21-19-23-11-3-1-4-12-23)31-25-15-7-9-17-27(25)32(28-18-10-8-16-26(28)31)30(34)22-20-24-13-5-2-6-14-24/h1-22H/b21-19+,22-20+.
What are the key properties of (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one?
(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one has a molecular weight of 438.53 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one is sourced from PubChem (CID 6221715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).