(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone

C47H30O2 — CID 122627133

IUPAC(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc21
InChIInChI=1S/C47H30O2/c1-46(2)35-17-7-3-12-28(35)29-23-22-27(26-40(29)46)44(48)34-16-11-20-38-42(34)32-14-4-8-18-36(32)47(38)37-19-9-5-15-33(37)43-39(47)25-24-31-30-13-6-10-21-41(30)49-45(31)43/h3-26H,1-2H3
InChIKeyZNWHCEZRQBLRPO-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.47
Rot. Bonds2

About (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone

(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone (PubChem CID 122627133) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone.

Molecular Properties

Compound Name(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
PubChem CID122627133
Molecular FormulaC47H30O2
Molecular Weight626.76 g/mol
Exact Mass626.22
IUPAC Name(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc21
InChIInChI=1S/C47H30O2/c1-46(2)35-17-7-3-12-28(35)29-23-22-27(26-40(29)46)44(48)34-16-11-20-38-42(34)32-14-4-8-18-36(32)47(38)37-19-9-5-15-33(37)43-39(47)25-24-31-30-13-6-10-21-41(30)49-45(31)43/h3-26H,1-2H3
InChIKeyZNWHCEZRQBLRPO-UHFFFAOYSA-N
XLogP11.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran;12,12-dimethylfluoreno[1,2-b][1]benzofuran;12,12-dimethylfluoreno[2,1-b][1]benzofuran
CID 159580171
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
19-[5-(9,9-dimethylfluoren-2-yl)benzo[10]annulen-12-yl]-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(22),18,20-undecaene
CID 163592615
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
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
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine
CID 118686585
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043

Frequently Asked Questions

What is the IUPAC name of (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone?
The IUPAC name of (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone (CID 122627133) is (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone.
What is the SMILES notation for (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone?
The canonical SMILES for (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone is CC1(C)c2ccccc2-c2ccc(C(=O)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc21.
What is the InChIKey of (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone?
The InChIKey is ZNWHCEZRQBLRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-46(2)35-17-7-3-12-28(35)29-23-22-27(26-40(29)46)44(48)34-16-11-20-38-42(34)32-14-4-8-18-36(32)47(38)37-19-9-5-15-33(37)43-39(47)25-24-31-30-13-6-10-21-41(30)49-45(31)43/h3-26H,1-2H3.
What are the key properties of (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone?
(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone has a molecular weight of 626.76 g/mol, XLogP of 11.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone is sourced from PubChem (CID 122627133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).