3-tert-butylspiro[9H-anthracene-10,9'-fluorene]

C30H26 — CID 175918743

IUPAC3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H26/c1-29(2,3)22-17-16-21-18-20-10-4-7-13-25(20)30(28(21)19-22)26-14-8-5-11-23(26)24-12-6-9-15-27(24)30/h4-17,19H,18H2,1-3H3
InChIKeyMZKNQYHNMIOXAV-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.25
Rot. Bonds

About 3-tert-butylspiro[9H-anthracene-10,9'-fluorene]

3-tert-butylspiro[9H-anthracene-10,9'-fluorene] (PubChem CID 175918743) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-tert-butylspiro[9H-anthracene-10,9'-fluorene].

Molecular Properties

Compound Name3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
PubChem CID175918743
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H26/c1-29(2,3)22-17-16-21-18-20-10-4-7-13-25(20)30(28(21)19-22)26-14-8-5-11-23(26)24-12-6-9-15-27(24)30/h4-17,19H,18H2,1-3H3
InChIKeyMZKNQYHNMIOXAV-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994
CID 174069072
CID 174069072
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylspiro[9H-anthracene-10,9'-fluorene]?
The IUPAC name of 3-tert-butylspiro[9H-anthracene-10,9'-fluorene] (CID 175918743) is 3-tert-butylspiro[9H-anthracene-10,9'-fluorene].
What is the SMILES notation for 3-tert-butylspiro[9H-anthracene-10,9'-fluorene]?
The canonical SMILES for 3-tert-butylspiro[9H-anthracene-10,9'-fluorene] is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3C2)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-tert-butylspiro[9H-anthracene-10,9'-fluorene]?
The InChIKey is MZKNQYHNMIOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-29(2,3)22-17-16-21-18-20-10-4-7-13-25(20)30(28(21)19-22)26-14-8-5-11-23(26)24-12-6-9-15-27(24)30/h4-17,19H,18H2,1-3H3.
What are the key properties of 3-tert-butylspiro[9H-anthracene-10,9'-fluorene]?
3-tert-butylspiro[9H-anthracene-10,9'-fluorene] has a molecular weight of 386.54 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylspiro[9H-anthracene-10,9'-fluorene] is sourced from PubChem (CID 175918743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).