9-(2,7-dimethylfluoren-9-ylidene)xanthene

C28H20O — CID 90710576

IUPAC9-(2,7-dimethylfluoren-9-ylidene)xanthene
SMILESCc1ccc2c(c1)C(=C1c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C28H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)28(23(19)15-17)27-21-7-3-5-9-25(21)29-26-10-6-4-8-22(26)27/h3-16H,1-2H3
InChIKeyYZFYRPHKMXYWQZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.40
Rot. Bonds

About 9-(2,7-dimethylfluoren-9-ylidene)xanthene

9-(2,7-dimethylfluoren-9-ylidene)xanthene (PubChem CID 90710576) has the molecular formula C28H20O and a molecular weight of 372.47 g/mol. Its IUPAC name is 9-(2,7-dimethylfluoren-9-ylidene)xanthene.

Molecular Properties

Compound Name9-(2,7-dimethylfluoren-9-ylidene)xanthene
PubChem CID90710576
Molecular FormulaC28H20O
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Name9-(2,7-dimethylfluoren-9-ylidene)xanthene
SMILESCc1ccc2c(c1)C(=C1c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C28H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)28(23(19)15-17)27-21-7-3-5-9-25(21)29-26-10-6-4-8-22(26)27/h3-16H,1-2H3
InChIKeyYZFYRPHKMXYWQZ-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene
CID 71384029
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
9-[bis(4-methylphenyl)methylidene]xanthene
CID 15914606
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
2-(4-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-yl)-4-propan-2-ylpyridine
CID 162485859
4-methyl-2-(3-methylphenyl)-1-[2-(3-methylphenyl)phenyl]benzene
CID 58892355
5-methyl-1-benzofuran-2,3-dione
CID 56974146
8-methyl-27-oxa-12-aza-25-boraheptacyclo[21.3.1.05,26.06,11.012,25.013,18.019,24]heptacosa-1,3,5(26),6(11),7,9,13,15,17,19(24),20,22-dodecaene
CID 157358708

Frequently Asked Questions

What is the IUPAC name of 9-(2,7-dimethylfluoren-9-ylidene)xanthene?
The IUPAC name of 9-(2,7-dimethylfluoren-9-ylidene)xanthene (CID 90710576) is 9-(2,7-dimethylfluoren-9-ylidene)xanthene.
What is the SMILES notation for 9-(2,7-dimethylfluoren-9-ylidene)xanthene?
The canonical SMILES for 9-(2,7-dimethylfluoren-9-ylidene)xanthene is Cc1ccc2c(c1)C(=C1c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2.
What is the InChIKey of 9-(2,7-dimethylfluoren-9-ylidene)xanthene?
The InChIKey is YZFYRPHKMXYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)28(23(19)15-17)27-21-7-3-5-9-25(21)29-26-10-6-4-8-22(26)27/h3-16H,1-2H3.
What are the key properties of 9-(2,7-dimethylfluoren-9-ylidene)xanthene?
9-(2,7-dimethylfluoren-9-ylidene)xanthene has a molecular weight of 372.47 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,7-dimethylfluoren-9-ylidene)xanthene is sourced from PubChem (CID 90710576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).