2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]

C30H26 — CID 142481262

IUPAC2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C30H26/c1-4-20-17-18-22-21-11-5-6-12-23(21)30(28(22)19-20)26-15-9-7-13-24(26)29(2,3)25-14-8-10-16-27(25)30/h5-19H,4H2,1-3H3
InChIKeyYTUZHTHSHAKFEI-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.25
Rot. Bonds1

About 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]

2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene] (PubChem CID 142481262) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene].

Molecular Properties

Compound Name2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
PubChem CID142481262
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C30H26/c1-4-20-17-18-22-21-11-5-6-12-23(21)30(28(22)19-20)26-15-9-7-13-24(26)29(2,3)25-14-8-10-16-27(25)30/h5-19H,4H2,1-3H3
InChIKeyYTUZHTHSHAKFEI-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5',14'-diethylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 147955963
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
N,N-bis[(9,9-dimethylfluoren-2-yl)methyl]ethanamine;N,N-bis(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;ethane
CID 157264085
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2',7'-diethylspiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 122504097
N-(4-ethylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 134568081
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542

Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The IUPAC name of 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene] (CID 142481262) is 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene].
What is the SMILES notation for 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The canonical SMILES for 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene] is CCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The InChIKey is YTUZHTHSHAKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-4-20-17-18-22-21-11-5-6-12-23(21)30(28(22)19-20)26-15-9-7-13-24(26)29(2,3)25-14-8-10-16-27(25)30/h5-19H,4H2,1-3H3.
What are the key properties of 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene] has a molecular weight of 386.54 g/mol, XLogP of 7.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene] is sourced from PubChem (CID 142481262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).