9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene

C42H24O3 — CID 102008343

IUPAC9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
SMILESc1ccc2c(c1)Oc1ccccc1C2=C1C(=C2c3ccccc3Oc3ccccc32)C1=C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C42H24O3/c1-7-19-31-25(13-1)37(26-14-2-8-20-32(26)43-31)40-41(38-27-15-3-9-21-33(27)44-34-22-10-4-16-28(34)38)42(40)39-29-17-5-11-23-35(29)45-36-24-12-6-18-30(36)39/h1-24H
InChIKeyHPCKYYGDCHPNOO-UHFFFAOYSA-N
MW576.65 g/mol
LogP10.82
Rot. Bonds

About 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene

9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene (PubChem CID 102008343) has the molecular formula C42H24O3 and a molecular weight of 576.65 g/mol. Its IUPAC name is 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene.

Molecular Properties

Compound Name9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
PubChem CID102008343
Molecular FormulaC42H24O3
Molecular Weight576.65 g/mol
Exact Mass576.17
IUPAC Name9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
SMILESc1ccc2c(c1)Oc1ccccc1C2=C1C(=C2c3ccccc3Oc3ccccc32)C1=C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C42H24O3/c1-7-19-31-25(13-1)37(26-14-2-8-20-32(26)43-31)40-41(38-27-15-3-9-21-33(27)44-34-22-10-4-16-28(34)38)42(40)39-29-17-5-11-23-35(29)45-36-24-12-6-18-30(36)39/h1-24H
InChIKeyHPCKYYGDCHPNOO-UHFFFAOYSA-N
XLogP10.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.65
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene?
The IUPAC name of 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene (CID 102008343) is 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene.
What is the SMILES notation for 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene?
The canonical SMILES for 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene is c1ccc2c(c1)Oc1ccccc1C2=C1C(=C2c3ccccc3Oc3ccccc32)C1=C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene?
The InChIKey is HPCKYYGDCHPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O3/c1-7-19-31-25(13-1)37(26-14-2-8-20-32(26)43-31)40-41(38-27-15-3-9-21-33(27)44-34-22-10-4-16-28(34)38)42(40)39-29-17-5-11-23-35(29)45-36-24-12-6-18-30(36)39/h1-24H.
What are the key properties of 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene?
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene has a molecular weight of 576.65 g/mol, XLogP of 10.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene is sourced from PubChem (CID 102008343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).