2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol

C45H38O4 — CID 90396467

IUPAC2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol
SMILESCOc1cc2oc3cc(OCCO)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c2cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C45H38O4/c1-44(2)36-12-8-6-10-28(36)30-16-14-26(20-38(30)44)32-22-34-35-23-33(41(48-19-18-46)25-43(35)49-42(34)24-40(32)47-5)27-15-17-31-29-11-7-9-13-37(29)45(3,4)39(31)21-27/h6-17,20-25,46H,18-19H2,1-5H3
InChIKeyOXYARXVSTTWWIB-UHFFFAOYSA-N
MW642.79 g/mol
LogP10.91
Rot. Bonds6

About 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol

2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol (PubChem CID 90396467) has the molecular formula C45H38O4 and a molecular weight of 642.79 g/mol. Its IUPAC name is 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol
PubChem CID90396467
Molecular FormulaC45H38O4
Molecular Weight642.79 g/mol
Exact Mass642.28
IUPAC Name2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol
SMILESCOc1cc2oc3cc(OCCO)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c2cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C45H38O4/c1-44(2)36-12-8-6-10-28(36)30-16-14-26(20-38(30)44)32-22-34-35-23-33(41(48-19-18-46)25-43(35)49-42(34)24-40(32)47-5)27-15-17-31-29-11-7-9-13-37(29)45(3,4)39(31)21-27/h6-17,20-25,46H,18-19H2,1-5H3
InChIKeyOXYARXVSTTWWIB-UHFFFAOYSA-N
XLogP10.91
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.79
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
1-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-(1-prop-2-enoyloxyethenoxy)dibenzofuran-3-yl]oxyethyl prop-2-enoate
CID 118652597
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methoxyanthracen-9-yl]-1-methoxyanthracene
CID 20822251
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
13,13-dimethyl-17-oxanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.029,34]hexatriaconta-1,3(18),4,6(14),7,9,11,15,19,21,23,25,27,29,31,33,35-heptadecaene
CID 147097625
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380

Frequently Asked Questions

What is the IUPAC name of 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol?
The IUPAC name of 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol (CID 90396467) is 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol.
What is the SMILES notation for 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol?
The canonical SMILES for 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol is COc1cc2oc3cc(OCCO)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c2cc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol?
The InChIKey is OXYARXVSTTWWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38O4/c1-44(2)36-12-8-6-10-28(36)30-16-14-26(20-38(30)44)32-22-34-35-23-33(41(48-19-18-46)25-43(35)49-42(34)24-40(32)47-5)27-15-17-31-29-11-7-9-13-37(29)45(3,4)39(31)21-27/h6-17,20-25,46H,18-19H2,1-5H3.
What are the key properties of 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol?
2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol has a molecular weight of 642.79 g/mol, XLogP of 10.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,8-bis(9,9-dimethylfluoren-2-yl)-7-methoxydibenzofuran-3-yl]oxyethanol is sourced from PubChem (CID 90396467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).