[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate

C28H24O3 — CID 67288051

IUPAC[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C28H24O3/c1-4-30-27(29)31-25-16-14-18-9-5-6-10-20(18)26(25)19-13-15-22-21-11-7-8-12-23(21)28(2,3)24(22)17-19/h5-17H,4H2,1-3H3
InChIKeyHDVMJZHBGDJFJB-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.35
Rot. Bonds3

About [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate

[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate (PubChem CID 67288051) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate
PubChem CID67288051
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C28H24O3/c1-4-30-27(29)31-25-16-14-18-9-5-6-10-20(18)26(25)19-13-15-22-21-11-7-8-12-23(21)28(2,3)24(22)17-19/h5-17H,4H2,1-3H3
InChIKeyHDVMJZHBGDJFJB-UHFFFAOYSA-N
XLogP7.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
CID 69031566
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097
14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184

Frequently Asked Questions

What is the IUPAC name of [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate?
The IUPAC name of [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate (CID 67288051) is [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate.
What is the SMILES notation for [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate?
The canonical SMILES for [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate is CCOC(=O)Oc1ccc2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate?
The InChIKey is HDVMJZHBGDJFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c1-4-30-27(29)31-25-16-14-18-9-5-6-10-20(18)26(25)19-13-15-22-21-11-7-8-12-23(21)28(2,3)24(22)17-19/h5-17H,4H2,1-3H3.
What are the key properties of [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate?
[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate has a molecular weight of 408.50 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl] ethyl carbonate is sourced from PubChem (CID 67288051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).