2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]

C33H22O — CID 122627056

IUPAC2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C33H22O/c1-19-11-13-22-23-14-12-20(2)18-29(23)33(28(22)17-19)27-9-5-3-7-21(27)25-15-16-26-24-8-4-6-10-30(24)34-32(26)31(25)33/h3-18H,1-2H3
InChIKeyPKENXYIBIUEECA-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.55
Rot. Bonds

About 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]

2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] (PubChem CID 122627056) has the molecular formula C33H22O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran].

Molecular Properties

Compound Name2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
PubChem CID122627056
Molecular FormulaC33H22O
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C33H22O/c1-19-11-13-22-23-14-12-20(2)18-29(23)33(28(22)17-19)27-9-5-3-7-21(27)25-15-16-26-24-8-4-6-10-30(24)34-32(26)31(25)33/h3-18H,1-2H3
InChIKeyPKENXYIBIUEECA-UHFFFAOYSA-N
XLogP8.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] with MolForge

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Related Compounds

2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
CID 58607554
CID 58607554
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 177287603
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]?
The IUPAC name of 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] (CID 122627056) is 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran].
What is the SMILES notation for 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]?
The canonical SMILES for 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]?
The InChIKey is PKENXYIBIUEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O/c1-19-11-13-22-23-14-12-20(2)18-29(23)33(28(22)17-19)27-9-5-3-7-21(27)25-15-16-26-24-8-4-6-10-30(24)34-32(26)31(25)33/h3-18H,1-2H3.
What are the key properties of 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]?
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] has a molecular weight of 434.54 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran] is sourced from PubChem (CID 122627056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).