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

C84H64O4 — CID 159580171

IUPAC7,7-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/4C21H16O/c1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19;1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21;1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18;1-21(2)17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22-20(16)19(15)21/h4*3-12H,1-2H3
InChIKeyMIXLNITZLXLZMT-UHFFFAOYSA-N
MW1137.43 g/mol
LogP23.57
Rot. Bonds

About 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

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 (PubChem CID 159580171) has the molecular formula C84H64O4 and a molecular weight of 1137.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID159580171
Molecular FormulaC84H64O4
Molecular Weight1137.43 g/mol
Exact Mass1136.48
IUPAC Name7,7-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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/4C21H16O/c1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19;1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21;1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18;1-21(2)17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22-20(16)19(15)21/h4*3-12H,1-2H3
InChIKeyMIXLNITZLXLZMT-UHFFFAOYSA-N
XLogP23.57
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.43
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 160839685
9-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 157191783
6-(10-dibenzofuran-1-ylanthracen-9-yl)-3,3-dimethyl-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene;6-(10-dibenzofuran-1-ylanthracen-9-yl)-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;6-(10-dibenzofuran-3-ylanthracen-9-yl)-3,3-dimethyl-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;6-(10-dibenzofuran-3-ylanthracen-9-yl)-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;19-(10-dibenzofuran-1-ylanthracen-9-yl)-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaene;19-(10-dibenzofuran-3-ylanthracen-9-yl)-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 158355594
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587
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
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
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
12,22-bis(9,9-dimethylfluoren-3-yl)-15,15-dimethyl-10,19-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20(25),21,23,26-dodecaene
CID 146228025
3,3,34,34-tetramethyl-9-(17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaen-14-yl)-14,23-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene
CID 167179040
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2ccccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 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?
The InChIKey is MIXLNITZLXLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H16O/c1-21(2)16-9-5-3-8-15(16)19-17(21)12-11-14-13-7-4-6-10-18(13)22-20(14)19;1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21;1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18;1-21(2)17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22-20(16)19(15)21/h4*3-12H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1137.43 g/mol, XLogP of 23.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).