(4,5-diphenylanthracen-9-yl)-dimethylborane

C28H23B — CID 150402531

IUPAC(4,5-diphenylanthracen-9-yl)-dimethylborane
SMILESCB(C)c1c2cccc(-c3ccccc3)c2cc2c(-c3ccccc3)cccc12
InChIInChI=1S/C28H23B/c1-29(2)28-24-17-9-15-22(20-11-5-3-6-12-20)26(24)19-27-23(16-10-18-25(27)28)21-13-7-4-8-14-21/h3-19H,1-2H3
InChIKeyHEBKWHQZRSBPPR-UHFFFAOYSA-N
MW370.30 g/mol
LogP7.29
Rot. Bonds3

About (4,5-diphenylanthracen-9-yl)-dimethylborane

(4,5-diphenylanthracen-9-yl)-dimethylborane (PubChem CID 150402531) has the molecular formula C28H23B and a molecular weight of 370.30 g/mol. Its IUPAC name is (4,5-diphenylanthracen-9-yl)-dimethylborane.

Molecular Properties

Compound Name(4,5-diphenylanthracen-9-yl)-dimethylborane
PubChem CID150402531
Molecular FormulaC28H23B
Molecular Weight370.30 g/mol
Exact Mass370.19
IUPAC Name(4,5-diphenylanthracen-9-yl)-dimethylborane
SMILESCB(C)c1c2cccc(-c3ccccc3)c2cc2c(-c3ccccc3)cccc12
InChIInChI=1S/C28H23B/c1-29(2)28-24-17-9-15-22(20-11-5-3-6-12-20)26(24)19-27-23(16-10-18-25(27)28)21-13-7-4-8-14-21/h3-19H,1-2H3
InChIKeyHEBKWHQZRSBPPR-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

9-tert-butyl-1-phenylphenanthrene
CID 166007758
[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
CID 141173656
1,8-bis(3,5-dimethylphenyl)-10-(2-phenylphenyl)anthracene;ethane;methane
CID 142384733
2-methoxy-1,3-diphenylbenzene
CID 23524590
11-phenylbenzo[a]anthracene
CID 123665695
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
1-ethynyl-5-phenylnaphthalene
CID 162499401
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
1,4,8,11-tetraphenylpentacene
CID 102295223
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenylanthracen-9-yl)-dimethylborane?
The IUPAC name of (4,5-diphenylanthracen-9-yl)-dimethylborane (CID 150402531) is (4,5-diphenylanthracen-9-yl)-dimethylborane.
What is the SMILES notation for (4,5-diphenylanthracen-9-yl)-dimethylborane?
The canonical SMILES for (4,5-diphenylanthracen-9-yl)-dimethylborane is CB(C)c1c2cccc(-c3ccccc3)c2cc2c(-c3ccccc3)cccc12.
What is the InChIKey of (4,5-diphenylanthracen-9-yl)-dimethylborane?
The InChIKey is HEBKWHQZRSBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23B/c1-29(2)28-24-17-9-15-22(20-11-5-3-6-12-20)26(24)19-27-23(16-10-18-25(27)28)21-13-7-4-8-14-21/h3-19H,1-2H3.
What are the key properties of (4,5-diphenylanthracen-9-yl)-dimethylborane?
(4,5-diphenylanthracen-9-yl)-dimethylborane has a molecular weight of 370.30 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenylanthracen-9-yl)-dimethylborane is sourced from PubChem (CID 150402531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).