4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran

C46H34O2 — CID 102031842

IUPAC4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran
SMILESC1=CC(C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C2C=CC=C2)C=C1
InChIInChI=1S/C46H34O2/c1-5-17-33(18-6-1)41-29-39(30-42(47-41)34-19-7-2-8-20-34)45(37-25-13-14-26-37)46(38-27-15-16-28-38)40-31-43(35-21-9-3-10-22-35)48-44(32-40)36-23-11-4-12-24-36/h1-32,37-38H
InChIKeyXFHXIXSFULSWRL-UHFFFAOYSA-N
MW618.78 g/mol
LogP11.29
Rot. Bonds7

About 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran

4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran (PubChem CID 102031842) has the molecular formula C46H34O2 and a molecular weight of 618.78 g/mol. Its IUPAC name is 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran.

Molecular Properties

Compound Name4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran
PubChem CID102031842
Molecular FormulaC46H34O2
Molecular Weight618.78 g/mol
Exact Mass618.26
IUPAC Name4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran
SMILESC1=CC(C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C2C=CC=C2)C=C1
InChIInChI=1S/C46H34O2/c1-5-17-33(18-6-1)41-29-39(30-42(47-41)34-19-7-2-8-20-34)45(37-25-13-14-26-37)46(38-27-15-16-28-38)40-31-43(35-21-9-3-10-22-35)48-44(32-40)36-23-11-4-12-24-36/h1-32,37-38H
InChIKeyXFHXIXSFULSWRL-UHFFFAOYSA-N
XLogP11.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-diphenylpyran-4-ylidene)-1-methoxyethylidene]tungsten
CID 11786839
4-methylsulfanyl-2,6-diphenyl-4H-pyran
CID 156601254
4-[(E)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyrylium-4-yl)ethenyl]-2,6-diphenylpyrylium
CID 102031841
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 136630217
2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
CID 632530
(2E)-2-(3-oxo-5-phenylfuran-2-ylidene)acetonitrile
CID 6433051
(NE)-N-[cyclopenta-2,4-dien-1-yl(phenyl)methylidene]hydroxylamine
CID 11987098
(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
CID 134868144
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
2-[2-[(2,6-diphenylpyran-4-ylidene)methyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 91744793
4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enylidene]-2,6-diphenylpyran
CID 59052965

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran?
The IUPAC name of 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran (CID 102031842) is 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran.
What is the SMILES notation for 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran?
The canonical SMILES for 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran is C1=CC(C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C2C=CC=C2)C=C1.
What is the InChIKey of 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran?
The InChIKey is XFHXIXSFULSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O2/c1-5-17-33(18-6-1)41-29-39(30-42(47-41)34-19-7-2-8-20-34)45(37-25-13-14-26-37)46(38-27-15-16-28-38)40-31-43(35-21-9-3-10-22-35)48-44(32-40)36-23-11-4-12-24-36/h1-32,37-38H.
What are the key properties of 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran?
4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran has a molecular weight of 618.78 g/mol, XLogP of 11.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-di(cyclopenta-2,4-dien-1-yl)-2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2,6-diphenylpyran is sourced from PubChem (CID 102031842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).