3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one

C34H24O2 — CID 165377177

IUPAC3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c1C(c1ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc1)c1c(C)cccc1-2
InChIInChI=1S/C34H24O2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)33(31(20)25)23-15-13-22(14-16-23)24-17-18-28-30(19-24)36-29-12-4-3-9-27(29)34(28)35/h3-19,33H,1-2H3
InChIKeyAQZHAGWLMOCAMF-UHFFFAOYSA-N
MW464.56 g/mol
LogP8.39
Rot. Bonds2

About 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one

3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one (PubChem CID 165377177) has the molecular formula C34H24O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
PubChem CID165377177
Molecular FormulaC34H24O2
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Name3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c1C(c1ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc1)c1c(C)cccc1-2
InChIInChI=1S/C34H24O2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)33(31(20)25)23-15-13-22(14-16-23)24-17-18-28-30(19-24)36-29-12-4-3-9-27(29)34(28)35/h3-19,33H,1-2H3
InChIKeyAQZHAGWLMOCAMF-UHFFFAOYSA-N
XLogP8.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377193
6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377162
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
CID 69098478
3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-one
CID 155281558
2-(4-dibenzofuran-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578788
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
CID 170244640
3-(3-methylphenyl)dibenzofuran
CID 70924364
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]xanthen-9-one
CID 155281538

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one?
The IUPAC name of 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one (CID 165377177) is 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one?
The canonical SMILES for 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one is Cc1cccc2c1C(c1ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc1)c1c(C)cccc1-2.
What is the InChIKey of 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one?
The InChIKey is AQZHAGWLMOCAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)33(31(20)25)23-15-13-22(14-16-23)24-17-18-28-30(19-24)36-29-12-4-3-9-27(29)34(28)35/h3-19,33H,1-2H3.
What are the key properties of 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one?
3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one has a molecular weight of 464.56 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 165377177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).