4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane

C122H102B4O13S — CID 163865001

IUPAC4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3cc4c5ccccc5oc4c4ccccc34)cc3ccccc23)OC1(C)C.CC1(C)OB(c2ccc3oc4cc(-c5ccc6c(ccc7c8ccccc8oc67)c5)ccc4c3c2)OC1(C)C.CC1(C)OB(c2ccc3sc4c5ccccc5ccc4c3c2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc23)OC1(C)C
InChIInChI=1S/2C34H27BO4.C32H27BO3.C22H21BO2S/c1-33(2)34(3,4)39-35(38-33)27-13-7-12-24-26-19-21(16-18-28(26)36-32(24)27)22-11-8-14-29-30(22)25-17-15-20-9-5-6-10-23(20)31(25)37-29;1-33(2)34(3,4)39-35(38-33)23-12-16-30-28(19-23)26-14-10-21(18-31(26)36-30)20-9-13-24-22(17-20)11-15-27-25-7-5-6-8-29(25)37-32(24)27;1-31(2)32(3,4)36-33(35-31)28-18-21(17-20-11-5-6-12-22(20)28)26-19-27-24-14-9-10-16-29(24)34-30(27)25-15-8-7-13-23(25)26;1-21(2)22(3,4)25-23(24-21)15-10-12-19-18(13-15)17-11-9-14-7-5-6-8-16(14)20(17)26-19/h2*5-19H,1-4H3;5-19H,1-4H3;5-13H,1-4H3
InChIKeyPFWVAWKUTGSMFC-UHFFFAOYSA-N
MW1851.46 g/mol
LogP30.58
Rot. Bonds7

About 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane (PubChem CID 163865001) has the molecular formula C122H102B4O13S and a molecular weight of 1851.46 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane
PubChem CID163865001
Molecular FormulaC122H102B4O13S
Molecular Weight1851.46 g/mol
Exact Mass1850.74
IUPAC Name4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(-c3cc4c5ccccc5oc4c4ccccc34)cc3ccccc23)OC1(C)C.CC1(C)OB(c2ccc3oc4cc(-c5ccc6c(ccc7c8ccccc8oc67)c5)ccc4c3c2)OC1(C)C.CC1(C)OB(c2ccc3sc4c5ccccc5ccc4c3c2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc23)OC1(C)C
InChIInChI=1S/2C34H27BO4.C32H27BO3.C22H21BO2S/c1-33(2)34(3,4)39-35(38-33)27-13-7-12-24-26-19-21(16-18-28(26)36-32(24)27)22-11-8-14-29-30(22)25-17-15-20-9-5-6-10-23(20)31(25)37-29;1-33(2)34(3,4)39-35(38-33)23-12-16-30-28(19-23)26-14-10-21(18-31(26)36-30)20-9-13-24-22(17-20)11-15-27-25-7-5-6-8-29(25)37-32(24)27;1-31(2)32(3,4)36-33(35-31)28-18-21(17-20-11-5-6-12-22(20)28)26-19-27-24-14-9-10-16-29(24)34-30(27)25-15-8-7-13-23(25)26;1-21(2)22(3,4)25-23(24-21)15-10-12-19-18(13-15)17-11-9-14-7-5-6-8-16(14)20(17)26-19/h2*5-19H,1-4H3;5-19H,1-4H3;5-13H,1-4H3
InChIKeyPFWVAWKUTGSMFC-UHFFFAOYSA-N
XLogP30.58
TPSA139.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.46
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-(6-naphtho[2,3-b][1]benzofuran-9-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(7-naphtho[3,2-b][1]benzofuran-8-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[7,6-b][1]benzofuran-7-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158464335
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505
2-[3-(4-dibenzofuran-2-yl-6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169039936
2-[9-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174110681
4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
4,4,5,5-tetramethyl-2-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-1,3,2-dioxaborolane
CID 177271256
2-ethenyl-4-(7-naphtho[1,2-b][1]benzothiol-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163425895
2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 175611464
2-(5-dibenzofuran-4-yl-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177094658
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane (CID 163865001) is 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3cc4c5ccccc5oc4c4ccccc34)cc3ccccc23)OC1(C)C.CC1(C)OB(c2ccc3oc4cc(-c5ccc6c(ccc7c8ccccc8oc67)c5)ccc4c3c2)OC1(C)C.CC1(C)OB(c2ccc3sc4c5ccccc5ccc4c3c2)OC1(C)C.CC1(C)OB(c2cccc3c2oc2ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane?
The InChIKey is PFWVAWKUTGSMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H27BO4.C32H27BO3.C22H21BO2S/c1-33(2)34(3,4)39-35(38-33)27-13-7-12-24-26-19-21(16-18-28(26)36-32(24)27)22-11-8-14-29-30(22)25-17-15-20-9-5-6-10-23(20)31(25)37-29;1-33(2)34(3,4)39-35(38-33)23-12-16-30-28(19-23)26-14-10-21(18-31(26)36-30)20-9-13-24-22(17-20)11-15-27-25-7-5-6-8-29(25)37-32(24)27;1-31(2)32(3,4)36-33(35-31)28-18-21(17-20-11-5-6-12-22(20)28)26-19-27-24-14-9-10-16-29(24)34-30(27)25-15-8-7-13-23(25)26;1-21(2)22(3,4)25-23(24-21)15-10-12-19-18(13-15)17-11-9-14-7-5-6-8-16(14)20(17)26-19/h2*5-19H,1-4H3;5-19H,1-4H3;5-13H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane has a molecular weight of 1851.46 g/mol, XLogP of 30.58, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(7-naphtho[1,2-b][1]benzofuran-3-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-naphtho[1,2-b][1]benzothiol-8-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 163865001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).