9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran

C56H42O — CID 144578369

IUPAC9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)C(C)(C)c5ccc7c(oc8ccccc87)c5-6)cc3C4Cc3ccccc3)cc21
InChIInChI=1S/C56H42O/c1-55(2)48-16-10-8-14-40(48)41-24-20-36(31-50(41)55)34-18-22-38-45(28-33-12-6-5-7-13-33)47-30-35(19-23-39(47)46(38)29-34)37-21-25-44-51(32-37)56(3,4)49-27-26-43-42-15-9-11-17-52(42)57-54(43)53(44)49/h5-27,29-32,45H,28H2,1-4H3
InChIKeyBYBHBOSKNAPRTH-UHFFFAOYSA-N
MW730.95 g/mol
LogP14.89
Rot. Bonds4

About 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran

9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran (PubChem CID 144578369) has the molecular formula C56H42O and a molecular weight of 730.95 g/mol. Its IUPAC name is 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound Name9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
PubChem CID144578369
Molecular FormulaC56H42O
Molecular Weight730.95 g/mol
Exact Mass730.32
IUPAC Name9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)C(C)(C)c5ccc7c(oc8ccccc87)c5-6)cc3C4Cc3ccccc3)cc21
InChIInChI=1S/C56H42O/c1-55(2)48-16-10-8-14-40(48)41-24-20-36(31-50(41)55)34-18-22-38-45(28-33-12-6-5-7-13-33)47-30-35(19-23-39(47)46(38)29-34)37-21-25-44-51(32-37)56(3,4)49-27-26-43-42-15-9-11-17-52(42)57-54(43)53(44)49/h5-27,29-32,45H,28H2,1-4H3
InChIKeyBYBHBOSKNAPRTH-UHFFFAOYSA-N
XLogP14.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.95
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran with MolForge

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Related Compounds

7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
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
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(9,9-dimethylfluoren-4-yl)anthracene
CID 160748906
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
4-chloro-2-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155005088
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene
CID 163661774
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553010
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
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491277

Frequently Asked Questions

What is the IUPAC name of 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The IUPAC name of 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran (CID 144578369) is 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The canonical SMILES for 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc(-c5ccc6c(c5)C(C)(C)c5ccc7c(oc8ccccc87)c5-6)cc3C4Cc3ccccc3)cc21.
What is the InChIKey of 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
The InChIKey is BYBHBOSKNAPRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O/c1-55(2)48-16-10-8-14-40(48)41-24-20-36(31-50(41)55)34-18-22-38-45(28-33-12-6-5-7-13-33)47-30-35(19-23-39(47)46(38)29-34)37-21-25-44-51(32-37)56(3,4)49-27-26-43-42-15-9-11-17-52(42)57-54(43)53(44)49/h5-27,29-32,45H,28H2,1-4H3.
What are the key properties of 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran?
9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran has a molecular weight of 730.95 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 144578369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).