4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene

C33H23O2+ — CID 57182122

IUPAC4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene
SMILESC(=C(C=C1C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1cc[o+]c2ccccc12
InChIInChI=1S/C33H23O2/c1-3-11-24(12-4-1)27(21-26-19-20-34-31-17-9-7-15-29(26)31)22-28-23-33(25-13-5-2-6-14-25)35-32-18-10-8-16-30(28)32/h1-23H/q+1
InChIKeyOBCUQFBJNYXQIJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP8.77
Rot. Bonds4

About 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene

4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene (PubChem CID 57182122) has the molecular formula C33H23O2+ and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene.

Molecular Properties

Compound Name4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene
PubChem CID57182122
Molecular FormulaC33H23O2+
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene
SMILESC(=C(C=C1C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1cc[o+]c2ccccc12
InChIInChI=1S/C33H23O2/c1-3-11-24(12-4-1)27(21-26-19-20-34-31-17-9-7-15-29(26)31)22-28-23-33(25-13-5-2-6-14-25)35-32-18-10-8-16-30(28)32/h1-23H/q+1
InChIKeyOBCUQFBJNYXQIJ-UHFFFAOYSA-N
XLogP8.77
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(chromenylium-4-ylmethylidene)-2-[2-(4-methoxyphenyl)-2-phenylethenyl]chromene perchlorate
CID 173460835
(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
CID 137292692
(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
CID 134868144
4-phenylchromenylium
CID 12828704
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one
CID 172635246
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione
CID 10706116
N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
CID 2852902

Frequently Asked Questions

What is the IUPAC name of 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene?
The IUPAC name of 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene (CID 57182122) is 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene.
What is the SMILES notation for 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene?
The canonical SMILES for 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene is C(=C(C=C1C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1cc[o+]c2ccccc12.
What is the InChIKey of 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene?
The InChIKey is OBCUQFBJNYXQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23O2/c1-3-11-24(12-4-1)27(21-26-19-20-34-31-17-9-7-15-29(26)31)22-28-23-33(25-13-5-2-6-14-25)35-32-18-10-8-16-30(28)32/h1-23H/q+1.
What are the key properties of 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene?
4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene has a molecular weight of 451.55 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chromenylium-4-yl-2-phenylprop-2-enylidene)-2-phenylchromene is sourced from PubChem (CID 57182122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).