2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane

C36H25BO2 — CID 88927435

IUPAC2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane
SMILESC=C1OB(c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)OC1=C
InChIInChI=1S/C36H25BO2/c1-24-25(2)39-37(38-24)30-20-17-26(18-21-30)29-19-22-33-34(23-29)36(28-13-7-4-8-14-28)32-16-10-9-15-31(32)35(33)27-11-5-3-6-12-27/h3-23H,1-2H2
InChIKeyQAGRLIPETFYXGT-UHFFFAOYSA-N
MW500.41 g/mol
LogP8.76
Rot. Bonds4

About 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane (PubChem CID 88927435) has the molecular formula C36H25BO2 and a molecular weight of 500.41 g/mol. Its IUPAC name is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane
PubChem CID88927435
Molecular FormulaC36H25BO2
Molecular Weight500.41 g/mol
Exact Mass500.19
IUPAC Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane
SMILESC=C1OB(c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)OC1=C
InChIInChI=1S/C36H25BO2/c1-24-25(2)39-37(38-24)30-20-17-26(18-21-30)29-19-22-33-34(23-29)36(28-13-7-4-8-14-28)32-16-10-9-15-31(32)35(33)27-11-5-3-6-12-27/h3-23H,1-2H2
InChIKeyQAGRLIPETFYXGT-UHFFFAOYSA-N
XLogP8.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-(9,10-diphenylanthracen-2-yl)-4,4-dimethyl-5-methylidene-1,3,2-dioxaborolane
CID 88944004
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane (CID 88927435) is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane is C=C1OB(c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)OC1=C.
What is the InChIKey of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane?
The InChIKey is QAGRLIPETFYXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BO2/c1-24-25(2)39-37(38-24)30-20-17-26(18-21-30)29-19-22-33-34(23-29)36(28-13-7-4-8-14-28)32-16-10-9-15-31(32)35(33)27-11-5-3-6-12-27/h3-23H,1-2H2.
What are the key properties of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane?
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane has a molecular weight of 500.41 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-4,5-dimethylidene-1,3,2-dioxaborolane is sourced from PubChem (CID 88927435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).