2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]

C30H24 — CID 59760556

IUPAC2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
SMILESCCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c(cccc21)C3C
InChIInChI=1S/C30H24/c1-4-19-12-14-23-22-13-11-17(2)15-26(22)30(27(23)16-19)24-9-5-7-20-18(3)21-8-6-10-25(30)29(21)28(20)24/h5-16,18H,4H2,1-3H3
InChIKeyPHWRKZCJMLFPQN-UHFFFAOYSA-N
MW384.52 g/mol
LogP7.37
Rot. Bonds1

About 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]

2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] (PubChem CID 59760556) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene].

Molecular Properties

Compound Name2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
PubChem CID59760556
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
SMILESCCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c(cccc21)C3C
InChIInChI=1S/C30H24/c1-4-19-12-14-23-22-13-11-17(2)15-26(22)30(27(23)16-19)24-9-5-7-20-18(3)21-8-6-10-25(30)29(21)28(20)24/h5-16,18H,4H2,1-3H3
InChIKeyPHWRKZCJMLFPQN-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] with MolForge

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Related Compounds

9,9-bis(2,5-diethylphenyl)-2,7-dimethylfluorene
CID 140599706
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
CID 123424959
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
CID 157347583
CID 58607554
CID 58607554
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
CID 162201346
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?
The IUPAC name of 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] (CID 59760556) is 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene].
What is the SMILES notation for 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?
The canonical SMILES for 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] is CCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c(cccc21)C3C.
What is the InChIKey of 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?
The InChIKey is PHWRKZCJMLFPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-4-19-12-14-23-22-13-11-17(2)15-26(22)30(27(23)16-19)24-9-5-7-20-18(3)21-8-6-10-25(30)29(21)28(20)24/h5-16,18H,4H2,1-3H3.
What are the key properties of 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?
2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] has a molecular weight of 384.52 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,14'-dimethylspiro[fluorene-9,6'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] is sourced from PubChem (CID 59760556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).